Internal ID,SMILES,log Solubility
Mol1,CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,0.089905111
Mol2,CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,0.550228353
Mol4,CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,1.657055853
Mol6,CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1,1.033423755
Mol9,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,0.93399
Mol12,COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1,1.751610089
Mol16,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,1.818225894
Mol17,N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1,1.414137362
Mol18,CCCc1cc(N2CCc3c(nc(C4CC4)n3C)C2)n2ncnc2n1,1.726482697
Mol21,C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,1.729974286
Mol23,[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,1.229809783
Mol24,C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,1.004321374
Mol25,Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,1.475235223
Mol26,Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O,0.380211242
Mol27,Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1,0.342422681
Mol28,O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1,1.610127613
Mol30,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,1.538196578
Mol31,CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,0.397940009
Mol33,CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,1.810232518
Mol35,C=CC(=O)N1CCC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,1.75089392
Mol36,CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,1.553276046
Mol37,CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1,0.431363764
Mol39,C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,1.548389418
Mol40,COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1,0.774516966
Mol41,Nc1ncc(-c2cccc(C(F)(F)F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1,1.399673721
Mol42,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,1.653212514
Mol43,Fc1ccccc1-c1c[nH]nc1C1CCCN1Cc1ccc2ncccc2c1,1.465382851
Mol44,Cc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1,1.527333397
Mol45,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,1.247359422
Mol46,Cc1c(Cl)ccc2cc3n(c12)[C@@H](C)CNC3=O,1.522444234
Mol47,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCNC1,1.601516784
Mol48,Cc1nnc(CN(C)CC(C)Oc2ccc(Cl)c(Cl)c2)n1C,1.51851394
Mol49,COc1nn(C)cc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1,1.559308011
Mol50,COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1,1.729974286
Mol51,Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@@H](C)C2)s1,1.722633923
Mol52,Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1,1.376576957
Mol53,CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,1.780317312
Mol54,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,1.614833965
Mol55,CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCO2)CC1,1.924795996
Mol56,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1,1.761927838
Mol57,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(Cl)c2)cc1,1.759667845
Mol58,O=C1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cn2)CCN1,1.710117365
Mol59,O=C1NCCN(C(=O)c2ccc3nccn3c2)C1c1ccccc1C(F)(F)F,1.84260924
Mol60,Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)c1ccc2nccn2c1,1.793790385
Mol61,O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl,1.645422269
Mol62,C[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@@H](C)O1,1.718667735
Mol63,CN1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2,1.716837723
Mol64,CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1,1.361727836
Mol65,OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3n2)c1)c1ccccc1,1.514149134
Mol66,Cc1ncsc1C(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cccc(Cl)c1,1.260071388
Mol67,OCC1CCCCN1Cc1ccc(Cl)c(Cl)c1,1.62324929
Mol68,CC(=O)N1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1,1.710117365
Mol69,COc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1,0.69019608
Mol70,c1ccc(Oc2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)cc1,1.824125834
Mol71,COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1,1.653212514
Mol72,Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12,1.372175286
Mol73,OCC1CCCCN1Cc1ccc(-c2ccccc2)cc1,1.620136055
Mol74,Nc1ncc(C(=O)NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12,0.880813592
Mol75,CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1,1.11058971
Mol76,Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1,1.651278014
Mol77,Cc1ncsc1C(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1,1.155336037
Mol78,O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCOC2=O)cc1,0.45484486
Mol79,O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,0.662757832
Mol80,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,1.780605306
Mol81,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1,1.456366033
Mol82,CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,1.409764104
Mol83,O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,1.673020907
Mol84,CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O,1.82672252
Mol85,CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1,0.819543936
Mol86,NCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1,1.480006943
Mol87,Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2,1.702430536
Mol88,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,0.720159303
Mol89,COc1nn(C)cc1C(=O)Nc1cccc2cnccc12,1.607455023
Mol90,CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)C1,1.759667845
Mol140,CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1,1.596926814
Mol143,O=C1CCC(=O)N1Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1,1.630936119
Mol144,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1,0.568201724
Mol147,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,0.439332694
Mol148,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,0.041392685
Mol149,COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1,1.660865478
Mol153,CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F,1.729002709
Mol154,C[C@@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21,1.573741642
Mol155,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1.811239773
Mol157,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,1.663229635
Mol158,Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(CC3CC3)n2)cc1C(F)(F)F,0.484299839
Mol160,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,0.579783597
Mol162,C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,1.770115295
Mol164,N#CN1CCC[C@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1,1.555094449
Mol165,CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12,1.660960292
Mol166,Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1,0.770852012
Mol167,CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1,1.837525309
Mol168,COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1,0.672097858
Mol169,c1ccc(-c2ccc(CN3CCCCCCC3)cc2)cc1,0.977723605
Mol170,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2Cl)CC1,1.290034611
Mol173,O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1,1.766115283
Mol174,Cc1ccccc1-c1nc(Cn2ccnc2C(C)C)c(C)o1,1.690284703
Mol175,CCc1nc2cc(-c3c(OC)cccc3OC)ccc2o1,1.279210513
Mol176,O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1,1.906873535
Mol177,CCn1ncnc1-c1[nH]cnc1-c1ccccc1,1.362293938
Mol178,Cc1nnc(NCCc2ccc3c(c2)OCO3)c(C#N)c1C,1.350248018
Mol179,Cc1nc(N2CCn3ccnc3C2)c2cnn(C)c2n1,1.517063873
Mol180,Cc1cc(CN(C)Cc2cscn2)no1,1.457124626
Mol181,Cc1occc1C(=O)NCC(=O)Nc1nc2cc(Cl)ccc2n1C,1.434568904
Mol182,CCNC(=O)c1ccc(CS(C)(=O)=O)cc1,1.611723308
Mol183,c1ccc(-c2noc(NC3CC3)n2)cc1,1.451786436
Mol184,Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc12,1.867644234
Mol185,CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,1.89187183
Mol186,O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1,1.69862243
Mol187,COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)s2)c1,1.591064607
Mol188,O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O,0.385606274
Mol189,CCN1CCC(CNC(=O)c2cc(C)nc3cc(F)ccc23)CC1,1.57054294
Mol190,COc1ccc(CCC(=O)N2CCCNCC2)cc1,1.552668216
Mol191,Cc1cc(-c2cnn(CCNC(=O)c3sc(C)nc3C)c2C2CC2)on1,1.826851948
Mol192,O=C(CSc1nc2nc(O)cc(O)c2s1)c1ccc(-c2ccccc2)cc1,0.84509804
Mol193,C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1,1.562530769
Mol194,CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1cccnc1,1.682325619
Mol195,O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1,1.546542663
Mol196,CCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1,1.626340367
Mol197,O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1,1.62838893
Mol198,COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC,1.870813424
Mol199,CSCC(=O)N1CCN(C(=O)CSC)C2(CCCCC2)C1,1.703549298
Mol200,CCCCNC(=O)c1cccc2ncccc12,1.467312063
Mol201,COc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1,1.743274524
Mol202,Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1F,1.87875152
Mol203,COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1C,1.674585602
Mol204,Cc1cc(OCC(=O)N(C)C2CCCCCCC2)no1,1.642068627
Mol205,CC(C)CNc1nnc(SCc2ccncc2)s1,1.680788612
Mol206,COc1c(C)cccc1CN1CCC(O)(c2ccc(F)cc2)CC1,1.59900924
Mol207,Cc1nn(-c2ccc(C(=O)O)cc2C#Cc2ccccc2)c(C)c1C,1.666424373
Mol208,Cc1cc(C)nc(Nc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc2)n1,1.823637222
Mol209,CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)C1,1.704150517
Mol210,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(CC1CC1)C2,1.624282096
Mol211,CCN(C/C=C/c1ccc(F)cc1)Cc1nc(COC)no1,1.504742636
Mol212,CC(=O)Nc1ccc2nc(C)cc(O)c2c1,1.587710965
Mol213,O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1,1.075546961
Mol214,CC1CCN(CCNC(=O)c2ccncc2)CC1,1.533899101
Mol215,CCN1CCC(N(C)c2ncnc3c2cnn3C)CC1,1.614897216
Mol216,CN(CC#N)C(=O)c1cccc(CN2CCCC2)c1,1.543074235
Mol217,Cc1cc2nc(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH]c2cc1C,1.59835271
Mol218,O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1,1.658869592
Mol219,CNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1,1.29666519
Mol220,COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2C1,1.191171456
Mol221,O=C(CCOc1ccccc1)N1CCCC1,1.589949601
Mol222,c1ccc(-c2n[nH]c(C3CCN(c4ccccn4)CC3)n2)cc1,1.536558443
Mol223,COc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1,0.691965103
Mol224,CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1,1.671635597
Mol225,COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1,1.67329744
Mol226,Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C,1.553883027
Mol227,CCNC(=O)C1CN(c2cccc(C#N)n2)C1,1.632558515
Mol228,O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1,1.619093331
Mol229,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)cn1,1.656098202
Mol230,c1ccc(CO[C@@H]2CCC[C@H]2n2cc(-c3nccs3)nn2)cc1,1.195346058
Mol231,Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1,1.80611211
Mol232,NCc1cccc(C(=O)N2CCCC2)c1,1.404833717
Mol233,Cc1ncsc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,1.714916248
Mol234,Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)nc1,1.639386869
Mol235,O=C(NCc1cnn(-c2ccccc2)c1)C1CCC1,1.501196242
Mol236,CNC(=O)c1ccc(N2CCCC2)nc1,1.540329475
Mol237,Cc1cc(C)nc(N(C)CC(=O)NC2CC2)n1,1.542825427
Mol238,Cc1cc(C(=O)Nc2cccc3ncccc23)on1,1.656768779
Mol239,CN(c1ncnc2c1cnn2CCO)C1CCCCC1,1.650307523
Mol240,NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O,1.646893624
Mol241,CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)nc2)CC1,1.660486016
Mol242,Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C,1.266936911
Mol243,Clc1cccc(CNc2nc(C3CC3)no2)c1,1.466719372
Mol244,Cc1ccc(-c2nc(NCc3ccco3)ncc2-c2cc(C)no2)cn1,1.012837225
Mol245,O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,1.51851394
Mol246,COc1nc(C)nc(N(C)Cc2nccs2)c1C,1.473778835
Mol247,O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(C3CC3)n2)CC1,1.432006687
Mol248,CN(Cc1cccc(C#N)c1)Cc1ccccc1C#N,1.467756051
Mol249,CN1CCN(Cc2noc(Cc3ccccc3)n2)c2ccccc21,1.149219113
Mol250,COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CC2)cc1,1.911317442
Mol251,O=C(c1cccnc1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,1.555698895
Mol252,CNC(=O)c1ccc(N(C)C2CCC2)nn1,1.674585602
Mol253,CC#CCNc1ccc(-n2cnnn2)c(C)c1,1.28780173
Mol254,Nc1nc2ccccc2nc1N1CCCC1,1.474944335
Mol255,CCn1c(=O)n(CC)c2cc(N)ccc21,1.574031268
Mol256,Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccccc2Cl)n1,1.81391442
Mol257,COc1ccccc1C(=O)NCc1nc(C)cc(N2CCCCC2)n1,1.825945143
Mol258,CCc1nnc(NC(=O)Cc2cccc(F)c2)s1,1.086359831
Mol259,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1F,1.288919606
Mol260,Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,1.409933123
Mol261,O=C(CN1CCCN(c2nccs2)CC1)Nc1cccc(Cl)c1,1.569958818
Mol262,COc1ccccc1NC(=O)CN1CCCN(c2nc(C)cs2)CC1,1.74390155
Mol263,CC(C)(C)c1cc(NC(=O)c2cccc3cn[nH]c23)[nH]n1,0.250420002
Mol264,Cc1ccccc1OCCCNc1cc(Cn2c(C)nc3ccccc32)nc(N)n1,1.159567193
Mol265,COc1ccc(-c2cccc(C3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1,0.908485019
Mol266,O=C1CCCN1CCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1,1.770778396
Mol267,Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1,1.745074792
Mol268,COCC1CCN(c2noc(-c3cccs3)n2)CC1,1.109578547
Mol269,NC(=O)COc1ccccc1-c1ccccc1,1.59117595
Mol270,Cc1nc(C)c(C)c(NCc2cc(-c3ccc(F)cc3)no2)n1,1.573567773
Mol271,Cc1cccn(Cc2cccc(F)c2)c1=O,1.377488383
Mol272,C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.60906055
Mol273,Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1,0.492760389
Mol274,Cc1ccc(-c2cn(CC3CCN(Cc4c[nH]c(C)n4)CC3)nn2)cc1,1.397940009
Mol275,Clc1ccc2c(Oc3cccnc3)ncnc2c1,1.5984622
Mol276,CC(C)(C)c1csc(NC(=O)C2CC2)n1,1.465977368
Mol277,Cc1ccc(C(=O)Nc2ncccc2C)s1,1.5774918
Mol278,CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1,1.797267541
Mol279,COc1ccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1,1.412124406
Mol280,O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1,1.635986112
Mol281,O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1,1.7182525
Mol282,O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12,0.117271296
Mol283,CN(CC(=O)NC1(C#N)CCCCC1)c1cccc(C#N)c1,1.306853749
Mol284,Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1,1.677971753
Mol285,CN(CCC1CCCCC1)C(=O)c1ccon1,1.84460142
Mol286,CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1,1.817300878
Mol287,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12,1.698535493
Mol288,COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O,1.727459921
Mol289,O=C(O)c1ccc(N2CCCC2)c(F)c1,1.435844366
Mol290,Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1,0.98811284
Mol291,Cc1cc(NC(=O)C2CCOCC2)sn1,1.751817788
Mol292,O=C(CC1CCNCC1)NCCc1ccccc1F,1.767081621
Mol293,N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1,1.398981067
Mol294,N#Cc1cccc(CN2CCC=C(CNC(=O)c3cccs3)C2)c1,1.718086295
Mol295,CON(C)C(=O)c1cc(C)ccc1NS(C)(=O)=O,1.522313795
Mol296,C#CCN1CCC(c2nc(Cc3noc(C)n3)no2)CC1,1.695043659
Mol297,Cc1ccc(Cn2nccc2NC(=O)c2ccncc2)o1,1.525951341
Mol298,NC(=O)Cn1cc(-c2ccc(F)cc2)cn1,1.446692466
Mol299,CCN(C(=O)CN1CCNC(=O)C1)c1ccc(F)cc1,1.541828767
Mol300,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1,1.390935107
Mol301,CN(C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O,2.179264464
Mol302,N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1,1.829303773
Mol303,CNC(=O)Cc1csc(-c2ccc(C)cc2)n1,0.608526034
Mol304,COc1ccccc1CNC(=O)C(C)N1CCCN(c2ccccc2C#N)CC1,1.670709595
Mol305,CON(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,0.008600172
Mol306,CCN(CC)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1,1.829368108
Mol307,N#CCCN(c1ncnc2sccc12)C1CC1,1.600101256
Mol308,Cc1ccc2nc3c(c(C(=O)NCc4nnc5n4CCC5)c2c1)CCCC3,1.756636108
Mol309,O=c1n(CCc2ccncc2)nnn1-c1ccccc1,1.363047595
Mol310,CCCCOc1ccc(C(=O)NCc2cc(C)on2)cc1,0.62324929
Mol311,COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1,1.869994
Mol312,COc1ccc(Cc2ncnn2-c2ccc3c(c2)OCO3)c(OC)c1,1.543074235
Mol313,O=c1[nH]nc(CCCN2CCOCC2)n1-c1cccc(Cl)c1,1.606381365
Mol314,Nc1cncc(-c2ccc(CN3CCCCC3)cc2)c1,1.414304688
Mol315,O=C(CN1CCCC(c2ccc3cn[nH]c3n2)C1)N1CCCC1,1.580069223
Mol316,COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CNCC[C@H]3O[C@@H]21,1.727785174
Mol317,CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21,1.628286731
Mol318,CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1,1.707570176
Mol319,CCn1nc(C2CCCC2)nc1-c1ccncc1,1.431363764
Mol320,O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1,1.699404082
Mol321,CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1,1.885785129
Mol322,CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cn2)CC1,1.786254396
Mol323,COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1,1.556543708
Mol324,CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,1.724521627
Mol325,Cc1nc(NCc2scnc2C)n(C)n1,1.442322956
Mol326,CCn1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)cn1,1.632963168
Mol327,CCCn1nccc1NC(=O)c1c(C)noc1C,1.498310554
Mol328,CCc1cc2c(N(C)CCO)ncnc2s1,1.611404638
Mol329,c1cnc(N2CCC(Cc3ccncc3)CC2)nc1,1.764176132
Mol330,Cc1cc(C)n(CCNC(=O)NC2CCOCC2)n1,1.67678503
Mol331,CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1,1.732876041
Mol332,CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1,1.643945913
Mol333,Cc1ccc(CNC/C=C/c2ccccc2)cn1,1.464191371
Mol334,CC(C)(C)n1ncc(OCc2ccc(OCCOCCO)nc2)c(Cl)c1=O,1.512150537
Mol335,CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1,0.949390007
Mol336,CCCNC(=O)C1(Cc2ccccn2)CCOCC1,1.930745328
Mol337,CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1,1.321805484
Mol338,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cn1,1.733197265
Mol339,O=C(c1ccc2[nH]ccc2c1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1,0.371067862
Mol340,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,1.567849451
Mol341,Cc1cc(Nc2ccc3c(c2)oc(=O)n3C)nc(C2CC2)n1,0.727541257
Mol342,O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12,0.320146286
Mol343,CCc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1,0.06069784
Mol344,CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)[nH]2)cc1,0.041392685
Mol345,O=C(NCc1ccc(-n2cncn2)nc1)c1csc2c1CCCC2,0.72427587
Mol346,Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C,1.236537261
Mol347,Cc1nc(C(C)C)sc1C(=O)Nc1nc(C(C)(C)C)cs1,1.071513805
Mol348,CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1C,0.711807229
Mol349,Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)O)c3)c2n1,1.245512668
Mol350,Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1,1.058426024
Mol351,Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1,1.77480883
Mol352,CCC(CC)NC(=O)c1ccc2ncsc2c1,1.346548559
Mol353,O=C1CNC(=O)N1CCCN1CCc2sccc2C1,1.708930536
Mol354,CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)O,1.710878618
Mol355,Cc1nc(CCN2C(=O)NC(C)(C)C2=O)cs1,1.503109437
Mol356,COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,1.319314304
Mol357,c1ccc(OCc2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1,1.117271296
Mol358,Cc1nn(C)cc1CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3,1.704322141
Mol359,CCOc1ccc(-c2csc(N)n2)cc1,0.8162413
Mol360,CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4cccs4)n3)C2)c1,0.322219295
Mol361,CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1,0.582063363
Mol362,N#Cc1ccc(OCCn2cccn2)cc1,1.600210306
Mol363,OC[C@@H](c1ccccc1)n1cc(CCc2ccccc2)nn1,1.147367108
Mol364,CC(C)CC(=O)Nc1cccnc1N(C)C,1.481299273
Mol365,Cc1nccc(-c2cccc(-n3ccnc3C(C)C)c2)n1,1.606381365
Mol366,CN(Cc1cnn(C)c1)c1ncnc2c1oc1ccccc12,1.628491105
Mol367,Cc1cccc(NC(=O)c2cccnc2N2CCCCC2)n1,1.4407517
Mol368,Clc1snnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,1.44963265
Mol369,COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1,1.793930007
Mol370,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2,1.735199548
Mol371,Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1,1.80140371
Mol372,c1ccc(-n2cc(CNc3ncccn3)cn2)cc1,1.613947477
Mol373,Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1,0.037426498
Mol374,O=C(NCCCn1ccnc1)N1CCC12CCC2,1.614053106
Mol375,Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1,1.785685668
Mol376,COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1,1.532372134
Mol377,O=C(NCc1nnc2c(O)nccn12)C1CCCC1,1.621591676
Mol378,CN(C)C(=O)COc1ccc(N)c(F)c1,1.641474111
Mol379,COc1ccc(Br)c(-c2nnc(N)o2)c1,1.393926007
Mol380,CCCn1ccnc1CNc1nc2c(s1)c(C)nn2C,1.491501766
Mol381,Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12,1.652826303
Mol382,Cc1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1,1.452859336
Mol383,Cc1nc2ccccn2c1CC(=O)NCCCSc1ccccc1,1.626443025
Mol384,COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C,1.842921121
Mol385,CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1,1.691965103
Mol386,CCOc1ccc(-c2ccccc2NC(=O)COC)cc1,1.571242851
Mol387,Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCCC3)cc1,1.562292864
Mol388,CNC(=O)c1cnc(/C=C/c2csc(-c3cccs3)n2)s1,0.948412966
Mol389,Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1,1.555698895
Mol390,FC(F)(F)c1nc(Nc2ccc(-n3cnnn3)cc2)c2ccccc2n1,0.06069784
Mol391,CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1,1.411619706
Mol392,Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1,1.557867962
Mol393,Cn1c(-c2ccccc2)cnc1NCc1ccccc1,1.442793226
Mol394,Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1,1.717004407
Mol395,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC1)CO2,1.360025089
Mol396,CCc1nnnn1Cc1noc2c1CCCC2,1.366236124
Mol397,CSCCc1nc(-c2cc(C)nc3cc(F)ccc23)n(CCO)n1,1.380934463
Mol398,CCOc1ncccc1-c1cc(Cl)ccc1O,1.356025857
Mol399,Cc1nc(NC(c2nccn2C)C2CC2)c2sccc2n1,1.710117365
Mol400,Cc1cc(C(=O)N(C)C2CCC2)n2nccc2n1,1.958563883
Mol401,CCCn1ncc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc21,1.693726949
Mol402,CC1CCC(NC(=O)c2oc3ccccc3c2CS(C)=O)CC1,1.837272703
Mol403,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)C1CCOCC1,1.691965103
Mol404,Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1,1.576226137
Mol405,CN(Cc1n[nH]c2c1CCCC2)c1nccnc1C#N,1.311753861
Mol406,COc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)CC2,1.13481437
Mol407,COc1ccc(C(=O)c2ccccc2)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,1.693199145
Mol408,COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1,1.775974331
Mol409,Cc1cc(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1,1.586699802
Mol410,CC(C)CC(=O)NCC(=O)N1CCCC1,1.788945727
Mol411,Cc1nnc(N2CC[C@H](O)C2)c(C#N)c1C,1.494711025
Mol412,Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,0.11058971
Mol413,Cc1cccc(-c2ncc(CNCc3ccccc3-n3cccn3)cn2)c1,1.349277527
Mol414,COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,1.955976222
Mol415,Clc1ccc(-c2ccc(CNCC3CCCO3)o2)c(Cl)c1,1.483587297
Mol416,O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1,0.380211242
Mol417,CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1,1.64246452
Mol418,NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1,1.922984816
Mol419,CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C#N)c1,1.749968084
Mol420,CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1,1.008174184
Mol421,Cc1cc(NC2CCCC2)nc(C2CCNCC2)n1,1.853819846
Mol422,COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1,0.357934847
Mol423,Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)cc2c1,1.719828286
Mol424,Cn1cc(C2CCN(CC(=O)N3CCc4sccc4C3)CC2)cn1,1.792251572
Mol425,O=C(CCN1C(=O)CCC1=O)Nc1cccc2ncccc12,1.655138435
Mol426,CCc1ccccc1NC(=O)Cn1nc(C)cc1C,1.645618738
Mol427,O=C(Cc1ccc(Cl)cc1)NCc1ccncc1,1.712733859
Mol428,CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21,1.288025535
Mol429,O=C(Cc1cccc2ccccc12)NCc1nnc2n1-c1ccccc1CC2,1.669037801
Mol430,Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCS1(=O)=O,1.894924977
Mol431,Cc1cccnc1NC(=O)CCn1cnc2ccccc21,1.682145076
Mol432,CNC(=O)c1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1,1.197004728
Mol433,CC(C(=O)Nc1ccccc1)N1CCCN(c2nccs2)CC1,1.569958818
Mol434,O=C1CCCN1c1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1,1.767823498
Mol435,Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)o1,1.797475288
Mol436,Cc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1,1.635282638
Mol437,CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1,1.880470593
Mol438,COC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,1.770115295
Mol439,CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,1.759667845
Mol440,COc1ccc(F)c(CN2CCC(Cc3noc(C)n3)CC2)c1,1.841422044
Mol441,Cc1ccc(C)c(-n2c(S)nnc2-c2ccc(O)cc2)c1,1.343408594
Mol442,CCN1CCC(Nc2ncnc3c2cnn3C)CC1,1.511482289
Mol443,CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCOC1=O,1.704150517
Mol444,Cc1nccn1CCNC(=O)C(C)(C)C,1.418135498
Mol445,O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1,0.985426474
Mol446,CC(C)(C)c1csc(CCNC(=O)N2CCSCC2)n1,1.839540893
Mol447,CS(=O)(=O)CCNc1ccc2ccc(F)cc2n1,1.728191399
Mol448,COc1cccc(NC(=O)CNc2cccc(-c3ccnc(C)n3)c2)c1,1.702861171
Mol449,O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1,0.689308859
Mol450,Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21,0.669316881
Mol451,COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(Cl)cc1,0.274157849
Mol452,O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1,1.33825723
Mol453,CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1,1.722551662
Mol454,O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21,0.318063335
Mol455,Cn1ccnc1CCNC(=O)c1cccc2cccnc12,1.618257345
Mol456,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,1.733036683
Mol457,Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ncccc21,1.733999287
Mol458,Nc1nc2ccccc2n1CCCc1ccccc1,1.434568904
Mol459,Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1,0.786751422
Mol460,CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1,1.730701544
Mol461,O=C(c1cccc(CNc2ccc3nccnc3n2)c1)N1CCCCC1,1.750199728
Mol462,CC(C)CN(c1ncnc2c1cnn2C)C1CC1,1.470851325
Mol463,O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1,0.653212514
Mol464,Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1,1.566201719
Mol465,CCc1cc(NCc2cccc(OCCOC)c2)ncn1,1.691258358
Mol466,Cn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1,1.642365581
Mol467,Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21,1.690993032
Mol468,CC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1,2.052617001
Mol469,CCOC(=O)CNC(=O)c1ccc(O)cc1O,1.559188189
Mol470,N#CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1,1.716587578
Mol471,N#Cc1cccnc1NCCc1cn2c(n1)CCCC2,1.719497017
Mol472,CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1,1.588831726
Mol473,O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1,1.709269961
Mol474,Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C,1.623145875
Mol475,Cc1cc2cc(C(=O)N(C)CCC(=O)O)oc2cc1C,1.672374979
Mol476,Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1,1.310905629
Mol477,CN(CC1(O)CCCC1)c1ncccn1,1.51308436
Mol478,CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1,1.653212514
Mol479,Cc1cc(-c2nnc3ccc4ccccc4n23)n(C)n1,1.23299611
Mol480,Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12,1.360214613
Mol481,CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O,1.741466762
Mol482,Clc1ccc(NCc2ccoc2)nn1,1.331629718
Mol483,CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,1.57818061
Mol484,CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,1.227115083
Mol485,CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1,1.754806855
Mol486,CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1,1.743823222
Mol487,Cn1ccc(CN2C(=O)c3ccccc3C2=O)cc1=O,1.699404082
Mol488,Cc1nc(Cn2ncc3ccccc3c2=O)cs1,1.653887558
Mol489,Cc1ncccc1CNc1nnc(C(C)(C)C)s1,1.612041745
Mol490,Cc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2,1.668385917
Mol491,COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1,1.463146137
Mol492,Cc1ccnc(-n2nccc2NC(=O)N2CCCN(C)CC2)c1,1.501470072
Mol493,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4,0.982271233
Mol494,Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1,0.113943352
Mol495,CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1,1.600537294
Mol496,Cc1nc(O)cc(C2CCN(c3cnccn3)CC2)n1,1.704922291
Mol497,COc1ccc(-c2c(C)n[nH]c2C)cn1,1.167612673
Mol498,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(Cc4cccs4)C3)c2n1,1.691081492
Mol499,O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2,0.33243846
Mol500,Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1,0.800717078
Mol501,CC(C)C[C@@H](C(N)=O)n1ccnc1-c1cccc2ccccc12,1.513883186
Mol502,Cc1nc(Cl)cc(Nc2cnn(C(C)(C)C)c2)n1,1.353916231
Mol503,CCc1ccc2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1,1.594171479
Mol504,CC(C)(C)CC(=O)N1CCC(OCCCN)CC1,1.70457945
Mol505,CC(C)NC(=O)Cn1nnnc1C(C)(C)C,1.366982976
Mol506,CCn1nc(Cc2ccc(OC)cc2)nc1Cc1sc(C)nc1C,1.458335626
Mol507,CCONC(=O)c1cncn1-c1ccc(F)cc1,1.681693392
Mol508,O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCCc2ccccc21,0.212187604
Mol509,Cc1ccccc1OCCn1c(N)nc2ccccc21,1.608632989
Mol510,Cc1cccc(OC2CCN(CC(N)=O)CC2)c1,1.897517129
Mol511,Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1,1.437750563
Mol512,COc1cc(F)ccc1-c1ncccc1NC(=O)C(C)C,1.539703239
Mol513,CCCN(C(=O)c1c(CC)noc1C)C1Cc2ccccc2C1,1.571475904
Mol514,O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,1.543074235
Mol515,O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)c2c(c1)OCO2,1.597695186
Mol516,CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1,1.607776604
Mol517,COc1ccc(Nc2ncnc3sccc23)c(OC)c1,1.60346916
Mol518,Cc1cccc(C(=O)NCC#Cc2ccccc2)n1,1.472463897
Mol519,CN(CCc1ccccn1)c1cnc2ccccc2n1,1.648847708
Mol520,Cc1ccc(Cn2nc(C)c(C(N)=O)c2Cl)cc1,1.387567779
Mol521,O=c1cc(CN2CCCCc3ccccc32)[nH]c2ccnn12,1.154423973
Mol522,O=C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1,1.591064607
Mol523,O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F,1.637989781
Mol524,CC(C)CC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)NC(C)C)CC1,2.135927335
Mol525,Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1,1.549003262
Mol526,Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1,1.657055853
Mol527,O=C(CSC1CCCC1)N1CCC(Cn2cccn2)CC1,1.80140371
Mol528,CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N,1.818555779
Mol529,CSc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1,0.67669361
Mol530,Cc1ccc([C@@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1,1.726727209
Mol531,Cc1nc2cc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)ccc2o1,0.968482949
Mol532,O=C(NCCc1ccc2c(c1)OCO2)N1CCc2sccc2C1,1.658488381
Mol533,COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1,1.975431809
Mol534,N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,1.154423973
Mol535,Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1,1.550228353
Mol536,CN(CCN1CCOC1=O)C(=O)c1cc2cc(Br)ccc2o1,1.706973676
Mol537,CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,0.808885867
Mol538,CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1,1.836197481
Mol539,CCSCc1nc(N)c2ccccc2n1,1.4827307
Mol540,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1,1.959851955
Mol541,O=C(C1CCC1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1,1.756331767
Mol542,CC(C)C(=O)Nc1ncn(Cc2cccnc2)n1,1.579669294
Mol543,Cc1csc(NC(=O)CCc2ccncc2)n1,1.580924976
Mol544,CSc1cccc(-c2ccccc2-c2nnc(C)o2)c1,1.618466492
Mol545,O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1,1.019946682
Mol546,Nc1ccc2[nH]c(CCc3ccccc3)nc2c1,1.5594278
Mol547,Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C,0.385606274
Mol548,COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1,1.472463897
Mol549,Fc1ccccc1CN1CCN(c2ncccn2)CC1,1.558708571
Mol550,CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(O)nc1,1.59736605
Mol551,O=C(c1noc2c1CCCC2)N1CCN(c2ncccn2)CC1,1.726727209
Mol552,CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N,1.448087667
Mol553,CC1(C)O[C@@](C)([C@H]2CC3(CCNCC3)CO2)CC[C@@H]1O,1.62910365
Mol554,CC1(C)CN(CC(=O)NCC#N)c2cccc(Cl)c21,1.455453969
Mol555,Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br,0.309630167
Mol556,Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1,1.622524862
Mol557,Cc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1,1.758381942
Mol558,CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1,1.753812784
Mol559,Cc1cccnc1CNc1ccc(C#N)cc1F,1.556181847
Mol560,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,1.578524605
Mol561,Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1,1.827692289
Mol562,O=C(Nc1ccc(F)cc1F)N1CCn2c1nc1ccccc12,0.785329835
Mol563,O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCOCC1,1.736953954
Mol564,C[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12,1.602059991
Mol565,CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1,1.872447648
Mol566,COCc1ccccc1CNc1ccc2cc(C#N)ccc2n1,0.416640507
Mol567,Cc1csc(CN(C)c2ccnc(N(C)C)n2)n1,1.660770644
Mol568,Cn1cc(C#N)cc1-c1nc(C2CC2)nn1CCc1ccccc1,1.692318044
Mol569,Nc1nnc(-c2ccc3c(c2)OCCO3)o1,1.368658712
Mol570,N#CCCCN1CCN(c2cc(C#N)ccn2)CC1,1.615318657
Mol571,CCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2,1.623662707
Mol572,CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2CC(C)C,1.743039155
Mol573,CCn1ccc2cc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)ccc21,1.660201201
Mol574,Cn1cc(-c2nnc(NCc3ccc4ccccc4c3)o2)cn1,1.050379756
Mol575,Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1,1.765072201
Mol576,CCc1c(N)cnn1-c1ccccc1C,1.569841899
Mol577,Cn1ccc(C(=O)N2CCCC(c3cccc(-c4cccc(Cl)c4)n3)C2)n1,1.426511261
Mol578,CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1F,1.640580806
Mol579,CNC(=O)CN(C)c1cccc(F)c1C#N,1.532754379
Mol580,O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCC1,1.05804623
Mol581,CN1C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C(=O)C1(C)C,1.271609301
Mol582,Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1,1.477555332
Mol583,COc1cc2nc(N)sc2cc1OC,1.513483957
Mol584,CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1,0.84135947
Mol585,COc1cc(CN2CCC(c3ccnc(C)n3)CC2)ccc1F,1.851441815
Mol586,Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1,0.342422681
Mol587,CNC(=O)c1cn(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1,1.759743368
Mol588,Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)oc(C)c1C,1.740046724
Mol589,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,0.51851394
Mol590,COc1cccc(-c2nc(C(=O)O)cs2)c1OC,1.576571684
Mol591,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2,1.358886204
Mol592,Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1,1.713574538
Mol593,O=C(C(c1ccccc1)c1ccccc1)N1CCOCC(Cc2ccc3cnccc3c2)C1,1.547774705
Mol594,COc1ccc(OCC(=O)N2CCN(C)CC2)cc1,1.72057272
Mol595,CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1,1.790707287
Mol596,Cc1cc(NC(=O)c2cccs2)no1,1.500099192
Mol597,Cc1csc(N(C(=O)c2ccc(-n3cncn3)c(F)c2)C2CC2)n1,1.727053011
Mol598,COc1c(C)cnc(CN(C)S(N)(=O)=O)c1C,1.485721426
Mol599,CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12,1.123851641
Mol600,Cc1cc(C(=O)N(C)Cc2ccsc2)no1,1.533009023
Mol601,OCCN1CCC(c2ccncn2)CC1,1.573103783
Mol602,CN(c1ncc(Br)cn1)C1CCS(=O)CC1,1.882638362
Mol603,CCc1ncnc(N(C)Cc2ccc(N)nc2)c1F,1.542825427
Mol604,COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2,1.452553063
Mol605,O=C(NCc1cc(F)cc(F)c1)c1ccccn1,1.637189422
Mol606,CN1CCC(n2ncc3[nH]c(-c4ccc5ccccc5c4)nc32)CC1,1.624282096
Mol607,O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccccc2o1,0.559906625
Mol608,Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1,1.703205371
Mol609,COCc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1OC,1.396722279
Mol610,Cc1nc(C)c2c(C)c(C(=O)N(C)CCN3CCCC3)sc2n1,1.784831178
Mol611,COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12,1.739176632
Mol612,Cc1ccc2nc3c(c(C(=O)NCc4cnn(C)c4)c2c1)CCCC3,1.750199728
Mol613,Clc1cc2ncc(-n3ccnc3)nc2cc1Cl,0.471291711
Mol614,CN(Cc1ccncc1)Cc1cc2ccccc2nc1O,1.686546899
Mol615,CCC(CC)NC(=O)c1cc(C)nc2onc(C)c12,1.65829765
Mol616,CCCN(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.59505509
Mol617,CN(CC(N)=O)Cc1cc2c(cc1Br)OCO2,1.843232778
Mol618,CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(C(F)(F)F)c1F)C2,1.783903579
Mol619,COc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1,1.355259906
Mol620,CC(C)(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1,1.679064318
Mol621,N#Cc1ccc(N2CCc3c(ncn3C3CC3)C2)nc1,1.658202253
Mol622,O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1,1.542576476
Mol623,N#Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1,1.615739689
Mol624,CC(C)c1nnc(CN2CCN(c3nccs3)CC2)o1,1.716587578
Mol625,O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1,1.583198774
Mol626,CC(=O)NCC1CCN(C(=O)c2ccc(C)nc2)CC1,1.73239376
Mol627,CC1CCN(C(=O)c2n[nH]c3ccccc23)CC1,1.421932813
Mol628,CN(Cc1cccnc1)Cc1ccc(C#N)o1,1.487138375
Mol629,Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,0.322219295
Mol630,Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1,1.61415871
Mol631,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1,1.545925329
Mol632,Cc1ccc(F)cc1CNc1cc(C(=O)N(C)C)ccn1,1.676053125
Mol633,COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1,1.330819467
Mol634,Cn1nc(-c2cn(Cc3ccc(CO)cc3)nn2)c2c(Cl)cccc21,1.283301229
Mol635,CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C,1.714664993
Mol636,CSCC[C@@H](CO)n1ccnc1-c1oc2ccccc2c1C,1.864511081
Mol637,Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)O)c12,1.709354776
Mol638,CCc1nc(CC)n(Cc2nc(C)cs2)n1,1.554731377
Mol639,OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1,1.538322333
Mol640,CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCOCC1,1.705007959
Mol641,Cc1nc(CC(=O)NCc2ccccc2)cs1,1.414973348
Mol642,O=C(Nc1ccc2c(c1)OCCCO2)c1cnn(Cc2ccccc2)c1,1.217483944
Mol643,CC(C)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1,1.79719827
Mol644,COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,1.813647695
Mol645,CCCN(Cc1ccccc1)C(=O)CC1(N)CCC1,1.7513561
Mol646,CN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1,1.564666064
Mol647,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1,1.47957531
Mol648,COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1,1.766189693
Mol649,O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I,1.786609473
Mol650,CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1,1.63748973
Mol651,CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21,1.675503385
Mol652,O=C(COCC1CC1)N1CCCc2ncccc21,1.53032779
Mol653,O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)nc1,1.850033258
Mol654,O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1,1.575649615
Mol655,O=C(NC1CCCC1)C(=O)c1ccc2c(c1)CCC2,1.495127881
Mol656,COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O,1.892150278
Mol657,COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1,0.447158031
Mol658,CN1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2,1.705007959
Mol659,Cc1ccccc1OC1CCN(C(=O)Nc2ccc3c(c2)ncn3C)CC1,1.427161403
Mol660,CC(C)c1nnc(CN2CCN(c3ccccc3Cl)CC2)o1,1.704665185
Mol661,O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)c1ccco1,1.801815169
Mol662,Cc1ccc2nc(C)c(-c3nc(C)nn3CCO)cc2c1,1.431363764
Mol663,COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1OC(C)C,1.360025089
Mol664,COCC(=O)Nc1nc(C)c(C)s1,1.408579125
Mol665,Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1,0.748188027
Mol666,CC(C)C(=O)N1CCC(Nc2ncnc3ccsc23)CC1,1.680969718
Mol667,Cc1nc(NCc2ccc(F)c(Cl)c2)n(C)n1,1.640878779
Mol668,O=C(NCc1cccc(F)c1)c1[nH]nnc1-c1ccccc1,1.321184027
Mol669,Cn1ccc2c(C(=O)Nc3ncn(Cc4cccnc4)n3)cccc21,1.62838893
Mol670,c1ccc2c(N3CCn4c(nnc4C4CC4)C3)ncnc2c1,1.637589786
Mol671,CCCC(=O)Nc1ccc(-n2cccn2)nc1,1.655426588
Mol672,CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1,1.73239376
Mol673,Cc1ccc(C)c(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1,0.367355921
Mol674,CC(=O)N1CCC(c2ccccn2)CC1,1.684126926
Mol675,O=C(c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1)N1CCCC1,1.033423755
Mol676,Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1,1.304490528
Mol677,Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1,1.480006943
Mol678,O=C(CN1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,1.738384124
Mol679,COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1,1.37051309
Mol680,O=C(CN1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,1.817895757
Mol681,Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1,1.617105231
Mol682,O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1,1.716837723
Mol683,CCc1ccccc1-c1cn(CCc2cnccn2)nn1,1.441695136
Mol684,O=C(NCc1ccc(F)cc1)c1ccccn1,1.541828767
Mol685,CN1CCN(CCOc2ccccc2N)CC1,1.580810973
Mol686,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1,1.65724713
Mol687,CNC(=O)CC1CCN(c2ncccn2)CC1,1.698970004
Mol688,Cc1ccc(C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1,1.5132176
Mol689,CCCn1ncnc1-c1ccccc1SC,1.29841638
Mol690,O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1,1.507720977
Mol691,Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1,1.842297134
Mol692,CC(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1,1.361538971
Mol693,O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccnc2)CC1,1.735439203
Mol694,O=C(O)CCn1c2ccccc2c2ccccc21,1.716086854
Mol695,O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,1.704150517
Mol696,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,0.95616843
Mol697,c1ccc2c(c1)CN(c1cnc3ccccc3n1)CCN2,1.399500661
Mol698,N#Cc1cccnc1NCCc1ccc(F)cc1,0.42975228
Mol699,N#CCCCN1CCC(c2c[nH]c3ccccc23)CC1,1.737033531
Mol700,CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21,1.894316063
Mol701,Cc1nn(C)c(C)c1C(=O)NCc1ccccc1,1.738066715
Mol702,CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1,1.666892211
Mol703,Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1,1.363799945
Mol704,C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2,1.864511081
Mol705,Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O,1.681060244
Mol706,Cn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21,1.002166062
Mol707,CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1,1.486005186
Mol708,Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1,1.632760888
Mol709,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C(=O)C3)c12,1.557988148
Mol710,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnsc2Cl)CC1,0.991226076
Mol711,COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1,1.288472801
Mol712,Fc1ccc(F)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,1.42975228
Mol713,c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1,1.450249108
Mol714,Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC(Cc2ncncc2C(N)=O)CC1,1.667452953
Mol715,O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2ncsc2c1,1.643650038
Mol716,c1ccc(-c2noc(NCC3CCC3)n2)cc1,1.540079089
Mol717,c1ccc(-c2n[nH]c(C3CCN(c4cnc5ccccc5n4)CC3)n2)cc1,0.792741786
Mol718,CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)CC1,1.326540669
Mol719,COc1cccc(OCCCn2cncc2-c2cc3c(cc2OC)OCCCO3)c1,1.979775933
Mol720,COc1ccc(-c2nc(CC(N)=O)sc2C)cc1.Cl,1.481442629
Mol721,O=C1NCCCCC1NC(=O)N1CCc2sccc2C1,1.695481676
Mol722,O=C(O)c1ccc(=O)n(CCc2c[nH]c3ccccc23)c1,1.627365857
Mol723,Cn1ccc(CN2CCC(c3cnccn3)CC2)n1,1.698970004
Mol724,Cc1nccn1-c1ccc(F)cc1CNC(=O)C(C)C,1.773420723
Mol725,O=C(CN1CCSC1=O)Nc1ccccc1F,1.500236475
Mol726,COc1ccc(CNCc2cccc3ccccc23)cc1,1.673941999
Mol727,O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1,0.195899652
Mol728,Cc1noc(NCc2cccc(-c3cccnc3)c2)n1,1.539327064
Mol729,CCCn1cnnc1Cn1ccnc1-c1ccc2occc2c1,1.456821348
Mol730,Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1,1.73239376
Mol731,O=C(CCNc1ncccn1)N1CCc2ccccc2C1,1.545059585
Mol732,CN(Cc1cccc(C#N)c1)Cc1cnn(C)c1,1.507180977
Mol733,Nc1cnc(Cc2ccc(F)cc2)nc1,1.582404298
Mol734,Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C)n1,1.209515015
Mol735,Cc1ccc(F)cc1NC(=O)c1cnc2onc(C(C)C)c2c1,1.627570664
Mol736,O=C(CCCc1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1,1.692053365
Mol737,Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)NC(C)C,1.624488363
Mol738,CC(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1,1.73295637
Mol739,CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1,1.83193373
Mol740,Cc1cc(C)c2c(N(C)CCC(C)C)ncnc2n1,1.573683693
Mol741,CN(CC(=O)NC1CC1)C(=O)C1C2CC3CC(C2)CC1C3,1.705692697
Mol742,CCc1nnc(NC(=O)Cc2c(C)noc2C)s1,1.649237472
Mol743,CN1CCCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1,1.636588184
Mol744,CCn1nccc1CNc1nnc(-c2ccc(OC)cc2)o1,1.433289685
Mol745,Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1,0.505149978
Mol746,O=C1CCC(=O)N1CCN1CCCCc2ccccc21,1.746244872
Mol747,O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21,0.615950052
Mol748,O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,1.232487866
Mol749,O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,1.749117662
Mol750,CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1,1.599883072
Mol751,CCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,1.397940009
Mol752,O=C(Nc1nccs1)c1c2c(nc3ccccc13)CCC2,0.831229694
Mol753,CC(C)(C)c1ccc(C2=NC3(CCNCC3)NC2=O)cc1,1.653694795
Mol754,O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1,1.552424846
Mol755,O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1,1.478422188
Mol756,Cc1cc(C)n(-c2ccc(CNC(=O)C3CCC3)cn2)n1,1.598899887
Mol757,CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1,1.754348336
Mol758,O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1,1.493876111
Mol759,NC(=O)CN1CCC(Oc2cccc(F)c2)CC1,1.783975003
Mol760,O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1,1.556543708
Mol761,COc1ccc(-c2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)[nH]c2C(N)=O)cc1,1.790918195
Mol762,CCn1c(SC)nnc1C1CCN(C)CC1,1.615107987
Mol763,CC(=O)N1CCN(CCNC(=O)N2CCc3sccc3C2)CC1,1.746244872
Mol764,CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1,1.447158031
Mol765,Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2)CC1,1.646403726
Mol766,O=C(Nc1ccccc1-n1ccnc1)c1cccs1,1.887673552
Mol767,Cc1nc2c(c(N(C)Cc3ccccc3)n1)CCN(Cc1ccccc1)C2,1.472756449
Mol768,CSc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)cc1,1.709269961
Mol769,Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(S(=O)(=O)C(C)C)CC1,1.828208614
Mol770,COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1OC,1.729002709
Mol771,CCN(C(C)=O)c1ccc(C)cc1C(=O)O,1.542825427
Mol772,CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2,1.542576476
Mol773,CON(C)C(=O)c1cccc2c(C)c(C)[nH]c12,1.498723971
Mol774,CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12,1.727785174
Mol775,O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1,1.603144373
Mol776,N#Cc1ccccc1-c1ccc(-c2nccn2-c2cccnc2)o1,1.473048805
Mol777,Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1,1.428458774
Mol778,COCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1,1.784331948
Mol779,Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)no1,1.704750904
Mol780,CCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21,1.526468512
Mol781,CCc1nnsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.508529719
Mol782,OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1,1.680063427
Mol783,CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc(C(N)=O)c1,1.661812686
Mol784,CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1,0.952792443
Mol785,CCC1(CC)NC(=O)N(CC(=O)N2CCOCC3(CCCC3)C2)C1=O,1.802157753
Mol786,O=C(Cc1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1,1.491501766
Mol787,Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C,1.564666064
Mol788,CN(C)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cn1,0.414973348
Mol789,Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1,1.574031268
Mol790,Cc1cccn(Cc2cccc(C#N)c2)c1=O,1.489958479
Mol791,Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1,1.791339704
Mol792,Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1,1.778440684
Mol793,CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,1.464936429
Mol794,CCCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1,1.751086555
Mol795,CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2ccnc2)nc1,1.733438027
Mol796,Cc1sc(NC(=O)CN2CCOC(C3CCCO3)C2)c(C)c1C,1.784617293
Mol797,Cn1ccnc1CNc1cc(Br)ccc1-n1cccn1,1.686636269
Mol798,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(-c3ccccc3)cccc12,1.230448921
Mol799,O=C(NCCNc1ncccc1C(F)(F)F)c1cnc2ccccn2c1=O,1.823474229
Mol800,O=C(Nc1nncs1)c1cccnc1,1.646599752
Mol801,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12,1.532244644
Mol802,Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)[C@H]1CCCO1)CCC2,1.507720977
Mol803,Fc1ccc(F)c(-c2nc(C3CCOCC3)nn2-c2cccnc2)c1,1.545430829
Mol804,Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O,1.846027675
Mol805,O=C(NC1(c2ccccc2)CCC1)c1cc(C2CC2)on1,0.944482672
Mol806,CN(Cc1nnc(C2CC2)n1C)C(=O)C1C2CC3CC(C2)CC1C3,1.666892211
Mol807,CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F,1.634174872
Mol808,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,1.479143248
Mol809,COc1ccc(CCn2c(C3CC3)n[nH]c2=O)cc1,1.452553063
Mol810,Cn1c(=O)n(C)c2cc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)ccc21,1.752509401
Mol811,O=C(NC1CC1)c1cccnc1Oc1ccccc1,1.814513952
Mol812,N#Cc1ccc(CN2CC(n3cccn3)C2)cc1,1.562768543
Mol813,NC(=O)Cn1ccc(-c2ccccc2)n1,1.607347777
Mol814,COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1,0.567026366
Mol815,Cc1cccc(NC(=O)c2cccc3ncccc23)c1,0.685741739
Mol816,CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O,2.061452479
Mol817,O=C(O)CNc1nc(-c2ccccc2)nc2ccccc12,1.404149249
Mol818,COCCS(=O)(=O)N1CCC2(Cc3ccccc3C2)C1,1.732634968
Mol819,Cc1cnn(Cc2nnc(-c3ccccc3)s2)c1,1.352375495
Mol820,Cc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1,1.461498527
Mol821,O=C(NCC1CCC1)c1ccc(-n2ccnc2)nn1,1.533263517
Mol822,CC1(c2nnc(-c3cc(-c4ccccc4)n[nH]3)o2)CCOCC1,1.263636069
Mol823,COc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3)cc2c1,0.924279286
Mol824,Cc1nnsc1CN(C)c1ccc2cc[nH]c2n1,1.389520466
Mol825,Cn1cnnc1CNc1ccccc1C#N,1.526726867
Mol826,O=C(c1ccc(O)nc1)N1CCN(c2ncccn2)CC1,1.63447727
Mol827,COc1ccc(NC(=O)c2snnc2C)c(OC)c1,0.564666064
Mol828,Cc1ccc(F)c(N(C#N)Cc2nccn2C(F)F)c1,1.654080235
Mol829,CC(=O)N1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1,1.830267801
Mol830,O=S(=O)(c1cn[nH]c1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,0.161368002
Mol831,CN(C)c1ncn(-c2cccc(N)c2)n1,1.343605508
Mol832,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,1.221414238
Mol833,c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1,0.618048097
Mol834,C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2)CC1,0.602059991
Mol835,Cc1ccc(-c2nc(CN3CCOCC3)n(Cc3ccc(F)cc3)n2)o1,1.461348434
Mol836,COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1,1.722140125
Mol837,CCC1(O)CN(c2ncnc3c2c(Br)nn3C)C1,1.691435152
Mol838,Cc1cccc(NC(=O)c2ccc3ccccc3c2)n1,0.068185862
Mol839,c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,0.57054294
Mol840,O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1,1.626032248
Mol841,CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1,1.665580991
Mol842,Cn1cc(CCNC(=O)N2CCc3sccc3C2)cn1,1.601516784
Mol843,Cc1cc(CCCC(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)ccc1F,0.50242712
Mol844,COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,1.853576544
Mol845,Cc1cccc(Oc2cc(CN)ccn2)c1C,1.478566496
Mol846,CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,0.785329835
Mol847,Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCC4)coc2c1C,1.736715134
Mol848,CC(C)(C)c1nnnn1CC(=O)NC12CC3CC(CC(C3)C1)C2,1.412292509
Mol849,O=C(O)c1ccccc1-n1cnc(CN2CCCC2)c1,1.588383768
Mol850,COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1,1.718833718
Mol851,Cc1cc(C)c(CC(=O)N2CC(CO)C2)c(C)c1,1.665956029
Mol852,CC(C)C[C@@H](CO)n1cc(-c2ccccc2Cn2cccn2)nn1,1.230704314
Mol853,Cc1sc2nc(CN3CCCC3)nc(N)c2c1C,1.649821463
Mol854,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccccc13)C2,1.72794771
Mol855,Cc1nn(CCC#N)c(C)c1Oc1ccccc1O,1.564547712
Mol856,OC1(Cn2nnc(-c3cccnc3)n2)CCCCC1,1.399154334
Mol857,Cc1cc(C(=O)NCCc2ccccn2)c(C)s1,1.613630435
Mol858,Nc1ccc(Oc2ccccc2F)nc1,1.408070286
Mol859,Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21,1.78724788
Mol860,Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12,1.633165354
Mol861,CCOC(=O)c1cccnc1-c1cccc2ccnn12,1.660675788
Mol862,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)Nc3ccccc3)C1)CC2,1.8162413
Mol863,NC(=O)c1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,1.0
Mol864,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2,0.848189117
Mol865,O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,1.751279104
Mol866,CCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,1.738780558
Mol867,O=C(CN1CCCC(c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1,0.835690571
Mol868,CC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCCC(c2nc3ccccc3o2)C1,1.751663946
Mol869,Cc1ccc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)cc1C,1.0
Mol870,Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1,1.617210095
Mol871,CN(C(=O)C1CCN(c2ncccn2)CC1)C1CCCCCCC1,1.69399061
Mol872,CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCCCC2)CC1,1.710540448
Mol873,O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](O)C1,1.699143687
Mol874,COc1ccnc(N2CC(n3nc(C)cc3C)C2)n1,1.579326204
Mol875,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3F)C2)n1,1.745465169
Mol876,COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1,1.153509989
Mol877,Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1,1.688864568
Mol878,COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1,1.0
Mol879,Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCOCC3)C2)cc1,1.733598461
Mol880,COc1ccc(CNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1,1.305566314
Mol881,CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1,1.451325808
Mol882,Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1,1.462397998
Mol883,Fc1cccc(CN2CCN(c3ncccn3)CC2)c1,1.579783597
Mol884,CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O,1.669316881
Mol885,CCN(Cc1ccccc1)C(=O)c1cccnc1N,1.564666064
Mol886,Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1,1.332842267
Mol887,CCCNC(=O)c1ccnc(N(C)C)c1,1.580924976
Mol888,O=C(NCC(=O)N1CCN(C2CC2)CC1)c1ccccc1,1.794488047
Mol889,CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,1.068185862
Mol890,CCN(C(=O)c1cc(NC(C)=O)ccc1F)C1CCCC1,1.688775655
Mol891,Cc1ccccc1C(=O)Nc1nc(C)c(C)s1,1.482158695
Mol892,CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,1.649626887
Mol893,COc1ccccc1C(=O)Nc1cccc(C#N)c1,1.519040039
Mol894,CO[C@H]1COCCN(C(=O)c2cccnc2)C1,1.541579244
Mol895,CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1,1.527114112
Mol896,Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1,1.627263417
Mol897,CC(C)c1nnc(NCc2ccn(C)c2)o1,1.252367514
Mol898,COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1,1.110926242
Mol899,CC(C)N1CCC(O)(c2ccccc2F)CC1,1.617734035
Mol900,CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N,1.606703741
Mol901,O=C(CN1CCc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1,1.720159303
Mol902,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1,1.748962861
Mol903,CC1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.738780558
Mol904,Cc1ccc(NC(=O)C(C)(C)c2ccccc2)nc1,1.486005186
Mol905,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1,0.916980047
Mol906,COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N,1.300812794
Mol907,CC(C)(C(=O)NCc1ccccn1)c1ccccc1,1.889805752
Mol908,O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1,1.783689236
Mol909,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1,1.734559822
Mol910,CC(C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1,1.408239965
Mol911,COc1ccc(C(=O)N(C)Cc2nccn2C)c(F)c1,1.720242018
Mol912,CC(C)CN1C(=O)C(=O)N(Cc2ccccn2)C1=O,1.593618308
Mol913,CON(C)C(=O)CCc1c(C)nn(C)c1C,1.534026106
Mol914,CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1,1.751048035
Mol915,O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1,1.734399743
Mol916,COc1ccc(C)cc1-c1cccnc1O,1.515873844
Mol917,N#Cc1cccc(-c2ccc3[nH]ccc3c2)n1,0.562292864
Mol918,Cc1ccc(-c2noc3nc(C)cc(C(=O)O)c23)cc1,1.871047261
Mol919,O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1,1.610660163
Mol920,O=C(c1cccs1)N1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1,1.800235789
Mol921,COc1ccc(C)cc1-n1ccc(C(=O)NC(C)C)n1,1.552668216
Mol922,CC(C)c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1,1.65079304
Mol923,CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1,1.88149878
Mol924,CN(CCc1ccccn1)C(=O)Nc1nncs1,1.658869592
Mol925,CC1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2)CC1,1.610660163
Mol926,COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1,1.628899564
Mol927,O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,1.673020907
Mol928,CN(C)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1,1.666985718
Mol929,Cc1cccc(NC(=O)CN(C)c2ncccc2F)n1,1.566201719
Mol930,CCN(CC)C(=O)c1ccc(NC(C)=O)cc1,1.539076099
Mol931,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,1.50758604
Mol932,Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3cccn3)CC2)c1,1.483872454
Mol933,CCOCC(=O)N1CCC2(CCc3ccccc3O2)CC1,1.533263517
Mol934,CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1,1.824321125
Mol935,CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1,1.653115993
Mol936,CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1,1.830396176
Mol937,Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1,1.882524538
Mol938,Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1,1.598024072
Mol939,Cc1ccccc1-n1nc(C(C)(C)C)cc1N,1.651374944
Mol940,COc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1,1.848804701
Mol941,Cc1cccn(Cc2cccnc2)c1=O,1.672097858
Mol942,c1nc(NC2CCN(C3CC3)CC2)c2sccc2n1,1.749890841
Mol943,Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1,1.514547753
Mol944,O=C(NCc1nncn1-c1ccccc1)C1CCCC1,1.636086515
Mol945,Cc1nccn1CCCN1C(=O)SC(C)(C)C1=O,1.465828815
Mol946,Cc1ccc(-c2ccccc2-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)o1,1.606918526
Mol947,Cc1ccc(C)c2c(O)cc(CN3CC(c4ccccn4)C3)nc12,1.765817515
Mol948,COCc1nc(-c2cc(F)ccc2F)c(C)s1,0.556302501
Mol949,Cn1ncc2c(Oc3cccc(C(C)(C)C)c3)ncnc21,0.591064607
Mol950,COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1,1.418301291
Mol951,N#Cc1ccccc1Cn1nnc(-c2ccccc2)n1,1.058805487
Mol952,Cc1cccn(Cc2ccccc2F)c1=O,1.450249108
Mol953,N#CCCN(C(=O)c1sccc1C#N)C12CC3CC(CC(C3)C1)C2,0.892094603
Mol954,CN(Cc1ccccn1)c1nc2ccccc2o1,1.577951128
Mol955,O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(F)cc1,1.524655712
Mol956,Cc1ccc(C(=O)NCC#Cc2ccccc2)cn1,1.647969458
Mol957,COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn23)cc1,1.670802284
Mol958,Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1,1.615213335
Mol959,CCCCN(C)C(=O)Nc1cc(C)ccn1,1.396548038
Mol960,Cn1cncc1CCNC(=O)[C@H]1CC1(C)C,1.459693976
Mol961,CC(C)(C)C(=O)N1CCC(NS(C)(=O)=O)CC1,1.754730469
Mol962,CC1(C)Cc2cc(CN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)ccc2O1,1.560504415
Mol963,Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1C,1.790636962
Mol964,c1ccc(CCc2n[nH]c(-c3cccc4cnccc34)n2)cc1,1.62024019
Mol965,COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC,1.72427587
Mol966,Nc1nncc(-c2ccccc2OC(F)F)n1,1.590061231
Mol967,Cc1cccc(C(=O)N(C)CCc2cnccn2)c1,1.48258777
Mol968,O=C(C1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1,1.746244872
Mol969,O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1,1.880298991
Mol970,CC1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1,0.715167358
Mol971,CNC(=O)Cn1ccc2cc(OC)ccc21,1.600646236
Mol972,C#CCNC(=O)c1cc(C(C)C)nn1CC,1.454082271
Mol973,CCOC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,1.712902125
Mol974,Cc1cccc2sc(NC(=O)C(C)(C)C)nc12,1.354684554
Mol975,Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1,1.520221436
Mol976,Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1,1.676967814
Mol977,Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1,0.149219113
Mol978,Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C,1.689663965
Mol979,COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC,1.678062905
Mol980,CC(=O)N1CCC(C(=O)Nc2nccs2)(c2ccccc2)CC1,1.794278866
Mol981,O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1,1.226599905
Mol982,O=C(NCC1=CCCN(Cc2cc(F)ccc2Cl)C1)c1ccco1,1.5774918
Mol983,c1ccc(Cc2nnc(NC3CCOCC3)s2)cc1,1.530967682
Mol984,Cc1ccc(CCNC(=O)c2ccncc2)o1,1.466422722
Mol985,CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1,1.341236623
Mol986,NC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,1.678973376
Mol987,O=C(CCc1cc2ccccc2o1)N1CCN(c2cnccn2)CC1,1.744684063
Mol988,COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1,1.672282625
Mol989,CC1(C)COCCN1Cc1cnn(-c2ccccc2)n1,1.168497484
Mol990,CN(CC(=O)Nc1ccncc1)C1CCCC1,1.610553705
Mol991,CCn1cc(NC(=O)c2ccccc2C)cn1,1.507451061
Mol992,CC(C)[C@H](Nc1ncc(Cl)cn1)C(=O)N1CCCC1,1.559068334
Mol993,Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccncc4)CC3)c2c1C,1.884058647
Mol994,COc1ccccc1-c1nn(-c2ccccc2)cc1CO,1.295127085
Mol995,CCc1nc(CN2C(=O)COc3ccc(F)cc32)cs1,1.320354033
Mol996,CCCCn1nc(-c2ccc(C)o2)nc1CNC,1.467015818
Mol997,CC(=O)NCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1,1.652052848
Mol998,NCc1cccnc1OCc1ccccc1,1.406369835
Mol999,Fc1ccc(-n2nc(C3CCOCC3)nc2-c2cn[nH]c2)c(F)c1,1.412964272
Mol1000,CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)no1,1.5402043
Mol1001,O=C(CN1CCOC(c2ccc(F)cc2)C1)Nc1ccccc1OC(F)F,1.36361198
Mol1002,COc1ccc(NC(=O)C(C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,1.27989498
Mol1003,Cc1ccc(C(=O)N(C)C)cc1NS(C)(=O)=O,1.701395269
Mol1004,CS(=O)(=O)N1CC(c2n[nH]c3ncccc23)C1,1.522574633
Mol1005,CN1C(=O)COc2ccc(NC(=O)CCN3C(=O)COc4ccc(Cl)cc43)cc21,0.176091259
Mol1006,N=C(N)N/N=C/c1c(Cl)cccc1Cl,1.701481636
Mol1007,CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O,1.173768823
Mol1008,Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1,0.509202522
Mol1009,O=C1N=C2C=CC=CN2C12Cc1ccccc1C2,1.572871602
Mol1010,c1cc2cc[nH]c2c(CC2CN(C3CCCC3)C2)n1,1.268811904
Mol1011,COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1,0.892651034
Mol1012,Cc1n[nH]c(C)c1Cc1ccc(NCCC(C)C)cc1,1.167612673
Mol1013,N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1,1.60498163
Mol1014,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCCO4,1.905903766
Mol1015,CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1,1.660391098
Mol1016,O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1,1.720903171
Mol1017,Cc1nnc(NCc2cccnc2)c2ccccc12,1.476106717
Mol1018,Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,1.634678752
Mol1019,CCCCc1c(C)[nH]c2nc(N(Cc3cccs3)C(C)=O)nn2c1=O,1.591064607
Mol1020,O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2,1.521661015
Mol1021,CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1,1.546295835
Mol1022,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1,1.64246452
Mol1023,O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1,1.755798657
Mol1024,CNC(=O)c1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1,1.360404055
Mol1025,CN(C(=O)c1cncc(F)c1)c1cccc2ncccc12,1.790777601
Mol1026,Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1,1.735439203
Mol1027,COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1,1.672282625
Mol1028,Cc1ccc(C(=O)NCCc2csc(C)n2)cn1,1.606381365
Mol1029,O=C(NCCc1ccccc1)c1cnccn1,1.771293443
Mol1030,CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1,1.698535493
Mol1031,CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O,1.845284126
Mol1032,Cc1nc(CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(NC2CCCC2)n1,1.781539969
Mol1033,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1,1.689308859
Mol1034,CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1,1.789580712
Mol1035,Cc1cnc(NCc2ccccc2-n2ccnc2)nc1N(C)C,1.717836867
Mol1036,COc1ccc2ccccc2c1CNC(=O)c1cnc(C2CC2)nc1,0.709269961
Mol1037,CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)cc1,1.574031268
Mol1038,COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1,1.800442121
Mol1039,COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1,1.744449457
Mol1040,CC(=O)c1ccc(OCCCCN2CCCC2)cc1,1.559667278
Mol1041,O=C(O)c1cc(/C=C/c2csnn2)nc2ccccc12,1.195899652
Mol1042,CSCc1csc(NC(C)=O)n1,1.444981112
Mol1043,CN(C)c1cc(CNc2ccc(C#N)cn2)ccn1,1.662568967
Mol1044,CC(C)(C)n1ncc(C(=O)N2CCCn3ncnc32)c1C(F)(F)F,1.664453929
Mol1045,c1cnc(-n2cccn2)c(CNC2CCCC2)c1,1.4827307
Mol1046,CCc1nnc(Oc2cccnc2)c(C#N)c1CC,1.484869033
Mol1047,O=C(CSc1nnc(-c2cccs2)[nH]1)N1CCCCCC1,1.441066407
Mol1048,Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCCCC1,1.693199145
Mol1049,COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3C)C2)o1,1.568788212
Mol1050,Cc1ccc2oc([C@H]3CCN(Cc4cccs4)C3)nc2c1,1.419955748
Mol1051,CCc1cnc(C)nc1-c1ccc(-c2ccn[nH]2)cc1,1.316808752
Mol1052,O=C(Nc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1,1.410777233
Mol1053,Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12,1.501059262
Mol1054,CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O,1.683047038
Mol1055,CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n21,1.7930916
Mol1056,O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1,1.790144365
Mol1057,COc1ccc(F)cc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.779596491
Mol1058,O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,1.675778342
Mol1059,CC(=O)Nc1cc(CCC2CCNCC2)ccn1,1.707399831
Mol1060,CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,1.8409212
Mol1061,O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1,1.487138375
Mol1062,CC(C)(C)NC(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O,0.779596491
Mol1063,Cc1ccccc1CSc1ccc(-c2ccccn2)nn1,0.243038049
Mol1064,CC(C)c1noc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1,1.72427587
Mol1065,O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1,1.794488047
Mol1066,CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1,1.562887381
Mol1067,CCC1(O)CN(c2ncccc2C#N)C1,1.356025857
Mol1068,Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1,1.788804493
Mol1069,O=C1CC[C@H](O)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1,2.07371835
Mol1070,CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,1.546295835
Mol1071,CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21,1.501880494
Mol1072,Cn1c(=O)n(C2CCCC2)c(=O)c2c(F)cccc21,1.41447195
Mol1073,Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,1.06069784
Mol1074,Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2,1.726727209
Mol1075,Cc1ccc(CNC(=O)c2cccnc2)n1C,1.608526034
Mol1076,CN1CCc2nc(NC(=O)c3cncn3-c3ccccc3)sc2C1,1.63748973
Mol1077,Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1,1.740125737
Mol1078,C=CCn1cnc2c(Cl)cc(-c3ccc(C(=O)NC4CC4)o3)cc21,1.520745472
Mol1079,CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1ccncc1,1.846646329
Mol1080,FC(F)(F)COc1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)nn1,1.716670976
Mol1081,COc1ccccc1CC(=O)NC1CCN(C)CC1,1.635282638
Mol1082,CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1,1.639984248
Mol1083,Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,1.560862695
Mol1084,Fc1ccccc1CNc1nc(-c2ccccc2)no1,0.545307116
Mol1085,CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1,1.683587318
Mol1086,CNC(=O)c1cccc(Oc2ncnc3c2CN(C)CC3)c1,1.670987603
Mol1087,C#CCN1CCC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1,1.653983907
Mol1088,N#Cc1ccccc1N1CCC(N)CC1,1.738225448
Mol1089,N#Cc1ccc(Cn2cncn2)c(F)c1,1.42373725
Mol1090,Fc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12,1.683767261
Mol1091,CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1,1.589837943
Mol1092,Cn1cnnc1CCn1ccnc1-c1cc2ccccc2s1,1.517855419
Mol1093,CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21,0.267171728
Mol1094,Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cn1,1.656002321
Mol1095,CC(C)c1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1,1.563006187
Mol1096,COc1ccc(-c2nc(CN3CCC[C@H](O)C3)no2)cc1,1.566201719
Mol1097,CCc1nc(NC(=O)c2ccccc2F)sc1C,1.361916619
Mol1098,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,1.112269768
Mol1099,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1,1.484299839
Mol1100,O=C(O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,1.963410016
Mol1101,CN1CC(=O)N(CCCC(=O)Nc2cccc(C#Cc3cccs3)c2)C1=O,1.635483747
Mol1102,O=C(CCc1ccco1)Nc1ccccc1OC(F)F,1.649626887
Mol1103,Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2cccnc2)n1,1.750122527
Mol1104,Cc1noc(C)c1CCC(=O)Nc1cccnc1,1.745933158
Mol1105,CCCN1CCCN(c2ncccc2C#N)CC1,1.445136969
Mol1106,CSCc1c(C(=O)NC(C)C)oc2ccccc12,1.445604203
Mol1107,Fc1ccc(F)c2c(NCc3ccc(N4CCOCC4)nc3)ccnc12,1.645225712
Mol1108,CCOc1ccccc1CNCCc1c[nH]c2ccccc12,1.597804842
Mol1109,COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1,1.728434951
Mol1110,COc1ccncc1NCc1ccc2c(c1)OCCO2,1.492620722
Mol1111,O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1,1.2955671
Mol1112,Cn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1,1.62838893
Mol1113,Cc1ccc(-n2ccnc2-c2ccoc2)c2cccnc12,1.297979244
Mol1114,O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1,1.591064607
Mol1115,Clc1ccccc1CNCc1ccc2c(c1)OCCO2,1.389520466
Mol1116,Cc1cccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)c1,1.331427297
Mol1117,O=C(Cc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1,1.464638559
Mol1118,COc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1,1.628286731
Mol1119,Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1,1.50501424
Mol1120,c1ccc(-c2nsc(N3CCCN(c4nccs4)CC3)n2)cc1,1.471438407
Mol1121,Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2n1,1.775537635
Mol1122,CCCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.547774705
Mol1123,Cc1nc2cc(NC(=O)CCc3c(C)noc3C)ccc2o1,1.592509848
Mol1124,CN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F,1.548389418
Mol1125,O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12,1.650501795
Mol1126,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(Cc3ccccc3)cccc12,1.476541809
Mol1127,Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1,0.436162647
Mol1128,Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCO,1.679064318
Mol1129,COc1ccc(CCC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,1.921009802
Mol1130,Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1,1.461348434
Mol1131,Cc1nccn1-c1cncc(N2CCN(CC3CCCC3)C(=O)C2)n1,1.696356389
Mol1132,N#Cc1c(O)nc2scc(-c3ccc(-c4ccccc4O)cc3)c2c1O,1.769377326
Mol1133,O=C1CN(C(=O)c2ccc(F)cc2)CCN1,1.672190251
Mol1134,CN(CC(=O)NC1(C#N)CCCC1)c1ccccc1,1.667639706
Mol1135,CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1,1.835817354
Mol1136,Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,1.762453482
Mol1137,COc1c(N)ncnc1N1CCCC(C)(C)CC1,1.583878599
Mol1138,COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC,0.63748973
Mol1139,Cc1nccc(C2(C)CCN(CC(N)=O)CC2)n1,1.77633791
Mol1140,Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C,1.592176757
Mol1141,O=C1CCCN1c1ccc(NCc2ccccn2)nc1,1.735279448
Mol1142,Cc1csc(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n1,1.491781776
Mol1143,CNc1nc(-c2cc(OC)cc(OC)c2)ncc1F,1.408748606
Mol1144,COc1ccccc1-c1nc(C(=O)O)cs1,1.737192643
Mol1145,Cc1ccc(CC(=O)Nc2nc(C)no2)cn1,1.631545228
Mol1146,CCCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21,1.168497484
Mol1147,OCCCCCn1cc(-c2ccccc2-c2ccco2)nn1,1.04453976
Mol1148,Cc1ccc(C2=NC3(CCN(Cc4ccc(F)cc4)CC3)NC2=O)cc1,1.104487111
Mol1149,O=C(NCc1ccccn1)c1ccc(F)cc1Cl,1.593286067
Mol1150,Nc1ccc(CC(=O)Nc2ccccc2F)cc1,1.732071941
Mol1151,COc1ccc(CN(C)C(=O)Nc2ccccc2)cc1F,1.66133934
Mol1152,Cc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1C,1.453624074
Mol1153,CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1,1.746089043
Mol1154,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2,1.9364132
Mol1155,COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,1.863857962
Mol1156,Cc1nccc(-c2cccc(NCc3cc(C)on3)c2)n1,1.668385917
Mol1157,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl,1.041392685
Mol1158,Cc1ccc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,1.077367905
Mol1159,C/C=C/CC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1,1.38219721
Mol1160,O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)no1,1.501880494
Mol1161,Cc1cc(CN2CCN(c3ncccn3)CC2)on1,1.564547712
Mol1162,CCc1nnc2n1CCN(C(=O)c1ccccc1Oc1cccnc1)C2,1.637289548
Mol1163,CNC(=O)c1cc(C2CCN(C)CC2)ncn1,1.511883361
Mol1164,CN1CCc2ncnc(N3CCCN(c4nccs4)CC3)c2C1,1.635986112
Mol1165,Cc1cc(N(C)C)nc(N(C)Cc2csc(C)n2)n1,1.675319983
Mol1166,Cc1cccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)c1,1.868526887
Mol1167,CCc1cnc(CN2C(=O)NC3(CCC3)C2=O)o1,1.510142699
Mol1168,Cc1cnn(C2CN(CC3(O)CCCCC3)C2)c1,1.5132176
Mol1169,CC1(C)CCN(C(=O)NCCOc2cccnc2)C1,1.599446376
Mol1170,CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2,1.526339277
Mol1171,N#CCSCC(=O)NC1CCCCCC1,1.651181062
Mol1172,Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br,1.674861141
Mol1173,CCC(Nc1cnn(C)c1)c1ccc2c(c1)OCCO2,1.57634135
Mol1174,CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1,1.544440137
Mol1175,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,0.691081492
Mol1176,Brc1cc2c(cc1Cn1cncn1)OCCCO2,1.536432176
Mol1177,COCCNc1ncnc2ccsc12,1.610127613
Mol1178,O=C(c1ccccn1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,1.476396827
Mol1179,CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1,1.005180513
Mol1180,Cc1cnn(Cc2nc(Cn3cccn3)no2)c1,1.556181847
Mol1181,COc1ccccc1CC(=O)Nc1ncc(C)s1,0.819543936
Mol1182,CCCN(CC)c1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1,1.684845362
Mol1183,Cc1c(Cl)cccc1NC(=O)C(C)N1CCCN(c2nccs2)CC1,1.683047038
Mol1184,Cc1nc(N2CCOc3ccccc3C2)c2cnn(C)c2n1,1.631849462
Mol1185,COCC(=O)Nc1cccc(-n2cccc2)c1,1.706632451
Mol1186,CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1,1.648457594
Mol1187,Cc1cnc(-c2nc(NCc3ccccn3)ncc2-c2onc(C)c2C)cn1,1.771219902
Mol1188,CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,1.344392274
Mol1189,CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1,1.541204691
Mol1190,Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)nnn3C)c1,1.465828815
Mol1191,CC(C)c1nc(NCc2cccnc2)n(C)n1,1.581608366
Mol1192,COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.775974331
Mol1193,CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1,1.691965103
Mol1194,O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2,1.783832143
Mol1195,O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccncc1,1.662285516
Mol1196,COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1,1.40654018
Mol1197,Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1,1.717670503
Mol1198,CCC(=O)N(C)c1ccccc1C(=O)O,1.561339941
Mol1199,CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1,1.694078462
Mol1200,C#CCOc1ccc(C(=O)NN2CCCC2=O)cc1,1.402948829
Mol1201,COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)cc1,1.610660163
Mol1202,Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O,1.669595781
Mol1203,Cc1ncsc1C(=O)N1C[C@@H]2CCCN(C(=O)c3scnc3C)[C@@H]2C1,1.880241776
Mol1204,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,1.004321374
Mol1205,COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1,1.188647296
Mol1206,O=C(NCC1CC1)c1ccc(-n2ccnc2)nc1,1.654946227
Mol1207,Fc1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,1.739255803
Mol1208,O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2,1.388101202
Mol1209,Cc1ccc(CN(C)c2ncnc3c2cnn3C)o1,1.612041745
Mol1210,O=C(CN1CCC(c2ccccc2)CC1)N1CCNC1=O,1.690727544
Mol1211,N#CC1(NC(=O)CN2CCOCC2)CCCCCC1,1.653791187
Mol1212,O=C(CCCc1nc2ccccc2[nH]1)N1CCCC1,1.553761698
Mol1213,C=CCN(Cc1cccnc1)c1nc(C)nc2sccc12,1.65829765
Mol1214,CN(C)C(C)(C)CNc1ncnc2ccccc12,1.59206567
Mol1215,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,1.632693441
Mol1216,COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1,1.643452676
Mol1217,Cc1nc(N(C)C)cc(C2(C)CCNCC2)n1,1.653598382
Mol1218,O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,1.11058971
Mol1219,Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3F)nn2)cc1,1.056904851
Mol1220,Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1,0.130333768
Mol1221,N#CCCN(C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2,0.857332496
Mol1222,CON(C)C(=O)Cc1c(C)[nH]c2ccccc12,1.724029973
Mol1223,Cc1cccc(Oc2ncccc2N)c1C,1.656385719
Mol1224,CC(C)c1cnc(COc2ccc(Br)nc2)o1,1.61992771
Mol1225,CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1,0.644438589
Mol1226,CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1,1.844849801
Mol1227,N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1,1.579097327
Mol1228,Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O,0.713490543
Mol1229,C#CCNC(=O)Cc1coc2cc(OC)ccc12,1.751587005
Mol1230,COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)c1C,0.926342447
Mol1231,CN(C)c1nc(N)nc(Sc2ccccc2)n1,0.492760389
Mol1232,Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc2c(F)cccc12,1.042181595
Mol1233,O=C(NCC1CC1)c1cncn1-c1ccc(F)cc1,1.717670503
Mol1234,CCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1,1.561339941
Mol1235,Cc1cc(C(=O)NCCC2=CSC3=NCCCN23)c2cccc(C)c2n1,1.66407759
Mol1236,c1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1,1.401572846
Mol1237,CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1,1.346744055
Mol1238,Nc1nc(-c2ccccc2)nc2nc(C3CCCN(CC(=O)N4CCCC4)C3)ccc12,1.836165816
Mol1239,COc1cc(C(=O)O)c(N)c(OC)c1OC,1.73183042
Mol1240,CC(C)(C)N1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1,1.698709349
Mol1241,O=C(NCCc1ccc2c(c1)OCO2)Nc1ccncc1,1.667452953
Mol1242,COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,0.993876915
Mol1243,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1,1.710963119
Mol1244,COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1,1.205745541
Mol1245,NC(=O)COc1ncnc2ccccc12,1.679881942
Mol1246,O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,1.667452953
Mol1247,CN(C)CCN(Cc1ccccc1)Cc1ccccc1O,1.622628426
Mol1248,Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1,1.40790054
Mol1249,CN(CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1.O=C(O)C(=O)O,1.461798558
Mol1250,Cn1nccc1CC1CCN(C2CCCC2)CC1,1.41763774
Mol1251,C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1,1.429590802
Mol1252,Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,1.440279213
Mol1253,CC(=O)Nc1cnn(CC2CCN(C)CC2)c1,1.371067862
Mol1254,Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12,1.64738297
Mol1255,CC(=O)Nc1cccc(CN2CCCN(C(C)=O)c3ccccc32)c1,1.471585054
Mol1256,Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,1.690639012
Mol1257,Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1,1.549493713
Mol1258,Cc1cccnc1NC(=O)Cc1coc2c(C)c(C)ccc12,1.873262459
Mol1259,Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccncc2)n1,1.520876382
Mol1260,Cc1cccc(C)c1OCC(=O)N(C)C1(C#N)CCC1,1.748730556
Mol1261,CS(=O)(=O)Cc1ccn(-c2ccccc2)n1,1.507855872
Mol1262,CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1,1.452859336
Mol1263,CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1,1.941461739
Mol1264,CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1,1.544688022
Mol1265,COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2nccn2C)cc1,1.255513713
Mol1266,Cc1ccc2c(c1)cc(CNCCc1ccccc1)c1nnnn12,1.396722279
Mol1267,O=C(CCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1,1.351409752
Mol1268,C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O,1.326335861
Mol1269,CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1,1.412292509
Mol1270,Cc1nnc(-c2ccccc2-c2ccc(O)cc2)s1,1.699751032
Mol1271,CCc1cnc(NCc2ccc(CN3CCCC3)cc2)nc1,1.50242712
Mol1272,CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C,1.487703863
Mol1273,CN1CCN(C(=O)c2cc(Br)cnc2Cl)c2cnccc21,1.762228284
Mol1274,Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1,1.675595056
Mol1275,CN(C)c1cc(CNC(=O)C2CCOCC2)ccn1,1.614897216
Mol1276,O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1,1.728353782
Mol1277,COC(=O)c1cc(F)c(C)c(NC(=O)CCCc2ccccn2)c1,1.633468456
Mol1278,COc1ccc(C)cc1-n1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1,1.521138084
Mol1279,CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,0.290034611
Mol1280,NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1,1.888123307
Mol1281,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1,0.431363764
Mol1282,O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CCCc2ccccc2)C1,1.658964843
Mol1283,Cn1nc(C2CC2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21,1.694078462
Mol1284,COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(C)=O,1.507855872
Mol1285,Fc1cccc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1,1.137037455
Mol1286,COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)c1,1.599555591
Mol1287,O=C(O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1,1.652729696
Mol1288,c1ccc(C(c2ccccc2)c2noc(Cn3cnc(C4CC4)n3)n2)cc1,1.419790586
Mol1289,Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,1.755722445
Mol1290,COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1,1.346352974
Mol1291,CC1(C)CN(C(=O)c2cncc(Br)c2)CCO1,1.920540717
Mol1292,CN1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1,1.688419822
Mol1293,O=C(Nn1cnc2ccccc21)c1c2c(nc3ccccc13)CCC2,1.75327657
Mol1294,Cc1cccc(N(C)C(=O)COC2CCCC2)n1,1.775391972
Mol1295,Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c2c(C)nn(C)c2n1,0.941014244
Mol1296,CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1,1.843544212
Mol1297,Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,1.267171728
Mol1298,OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,1.136720567
Mol1299,Fc1ccc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,0.409933123
Mol1300,Cc1oc(C)c(C(=O)NCC#Cc2ccccc2)c1C,1.681422156
Mol1301,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1,1.790496277
Mol1302,Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2n1,1.507451061
Mol1303,Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1,0.527629901
Mol1304,Cc1nccc(-c2cccc(NCC(=O)N3CCCCCCC3)c2)n1,1.745387121
Mol1305,Cc1ccc(-c2cnc(N)cn2)c2cccnc12,1.502973059
Mol1306,COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1,1.062205809
Mol1307,O=C(NC1CCCCC1)C1CCN(c2ccncc2Cl)CC1,1.342422681
Mol1308,c1ccc(C2(c3ccccc3)CCCN(Cc3nnc(C4CC4)o3)C2)cc1,1.550961752
Mol1309,Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12,1.351796307
Mol1310,CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)C1,1.568084331
Mol1311,CC(C)c1nc(CCn2ccnc2-c2ccoc2)cs1,1.46612587
Mol1312,Cc1cc2occ(CC(=O)NC3CCN(C)CC3)c2cc1C(C)C,1.536810866
Mol1313,CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1,1.675136504
Mol1314,Nc1ccccc1OCCn1ccnc1,1.391993072
Mol1315,CCCCCCNc1ncnc2[nH]ccc12,1.26904571
Mol1316,Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1,1.069668097
Mol1317,CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1,1.666517981
Mol1318,O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1,1.498310554
Mol1319,CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CO)CC1,1.699837726
Mol1320,COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1,1.528273777
Mol1321,CCN1CCc2ncnc(N3CCNc4ccccc4C3)c2C1,1.716587578
Mol1322,Cn1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cn1,1.368658712
Mol1323,CCc1noc(-c2ccc(CCN)cc2)n1,1.644241586
Mol1324,O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O,1.783188691
Mol1325,O=C(NCCc1cn2c(n1)CCCC2)c1ccccn1,1.677606953
Mol1326,Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1,0.206825876
Mol1327,O=C(CN1CCc2ccccc21)N1CCNC1=O,1.439332694
Mol1328,O=C(O)c1c2ccccc2nn1Cc1ccccc1,1.570192561
Mol1329,Cc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C,1.746011108
Mol1330,COc1cc(OC)c(OC)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,1.465680212
Mol1331,CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1,0.382017043
Mol1332,Cc1cccc(NCCc2cn3c(n2)CCCC3)n1,1.491361694
Mol1333,COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1,1.672005445
Mol1334,Cc1cc(N(C)C)nc(-n2ccnc2)n1,1.454692449
Mol1335,CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.709439574
Mol1336,COc1cc2c(cc1NC(C)=O)oc1ccccc12,1.536558443
Mol1337,Cn1cncc1-c1ncccc1C(=O)N1CCCC1,1.733839001
Mol1338,Cc1noc(C(C)C)c1C(=O)Nc1ccccn1,1.765445018
Mol1339,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,1.617419747
Mol1340,CNC(=O)CCc1nc(-c2ccccn2)no1,1.702861171
Mol1341,O=C(CN1CCCc2ccc(F)cc21)N1CCNC1=O,1.654561555
Mol1342,Cc1cc(N(C)C)nc(-n2cnc(C#N)n2)n1,1.36660971
Mol1343,N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1,1.480868924
Mol1344,CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1,0.338456494
Mol1345,Nc1nc(N)c2c(Cl)c(Br)ccc2n1,1.391111614
Mol1346,c1ccc(Cc2n[nH]c(CSc3ccccc3)n2)cc1,1.226084116
Mol1347,Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1,0.926342447
Mol1348,Cc1ccc(-c2ccc(=O)n(Cc3ccncc3)n2)cc1,1.629409599
Mol1349,Cc1ccnc(Oc2cc(N)ccc2C)c1,1.548266545
Mol1350,CCOC(=O)c1cc2ccccc2n1CC(=O)c1ccc(F)cc1,0.816903839
Mol1351,Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O,1.724603515
Mol1352,CC(C)c1ccc2c(c1)[C@H](NC(=O)Cn1ccnn1)CCC2,1.099335278
Mol1353,Cc1ccccc1COC1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1,1.654946227
Mol1354,COc1cc(CNc2nc3ccccc3nc2C)ccn1,1.428458774
Mol1355,CCN1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1,1.668012972
Mol1356,Cc1ccc(-c2ccnc(N3C[C@@H](C)NC[C@@H]3C)n2)c(C)n1,1.413634997
Mol1357,Cn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1,1.794348604
Mol1358,Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,1.217483944
Mol1359,CCC(=O)N(C)CC(=O)Nc1cccc(F)c1,1.651084089
Mol1360,O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21,0.814913181
Mol1361,O=C(NCCc1csc(N2CCCC2)n1)N1CCSCC1,1.720985744
Mol1362,Cc1ccccc1-n1cc[nH]c(=O)c1=O,1.766635886
Mol1363,CCN(CC)C(=O)N1CCCN(C(=O)N(CC)CC)CC1,1.686546899
Mol1364,c1ccc(-n2ncc3c(-n4ccnc4)ncnc32)cc1,0.696356389
Mol1365,CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1,1.264817823
Mol1366,COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C,1.608526034
Mol1367,CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1,1.664547962
Mol1368,O=C(CSC1CCCC1)N1CCC(n2ccnn2)CC1,1.591732239
Mol1369,Cc1ccc(C(=O)NC[C@H]2Cn3ccnc3CO2)cc1,1.483301952
Mol1370,CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1,1.824581376
Mol1371,CC(=O)N1CCCN(Cc2c(C)nn(C)c2Cl)CC1,1.613841822
Mol1372,NC(=O)CC1CCN(c2ncccn2)CC1,1.765072201
Mol1373,COc1ccc2nc(C)nc(N3CC(CO)C3)c2c1,1.46686762
Mol1374,Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1,1.581494542
Mol1375,O=C(CCc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCC2,1.062581984
Mol1376,Cc1nccc(C2CCN(Cc3ncc[nH]3)CC2)n1,1.905364069
Mol1377,CCCC(=O)Nc1ccc(C)c2ncccc12,1.700703717
Mol1378,CC(C)Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCC1,1.797059695
Mol1379,O=C1CCCN1C(=O)COc1cccc(-c2nnco2)c1,1.739572344
Mol1380,CCn1nccc1-c1cc(CC2CCNCC2)ncn1,1.571359393
Mol1381,Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1,1.610873
Mol1382,O=C(CCn1nnc2ccccc2c1=O)Nc1ccncc1,1.329601248
Mol1383,O=c1[nH]c2cnccc2n1Cc1ccccc1,1.497896743
Mol1384,Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)O,1.710878618
Mol1385,Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cn1,1.302763708
Mol1386,CCCn1ncc2[nH]c(C3CCCCC3)nc21,1.350829274
Mol1387,Cc1ccc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc1F,1.610873
Mol1388,CCC(=O)N1CCCc2cc(C(O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21,1.84540814
Mol1389,O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1,0.388278863
Mol1390,O=C(Nc1nc2ccccc2[nH]1)c1ccncc1,0.706717782
Mol1391,O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCC1,1.624591459
Mol1392,CNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1,1.698100546
Mol1393,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,1.713826424
Mol1394,CC(C)(C)n1cc(CNc2cccnc2)cn1,1.405687787
Mol1395,Cc1nccc(-c2cccc(NCC(=O)N(C)c3ccccc3)c2)n1,1.582290683
Mol1396,Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1,0.693726949
Mol1397,Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1,1.789510204
Mol1398,Cn1c(CNC(=O)Cc2ccccc2)nc2ccccc21,1.650987094
Mol1399,Cc1ccnc(NC(=O)CN2CCCC2=O)c1,1.741151599
Mol1400,CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1,1.546666025
Mol1401,Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1,1.683947131
Mol1402,CC(C)c1cc(N2CCc3[nH]nc(C4CC4)c3C2)n2nccc2n1,1.375663614
Mol1403,Fc1ccccc1-c1noc(-c2ccc(NCCc3cnccn3)nc2)n1,0.741151599
Mol1404,COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1,1.613841822
Mol1405,O=C(NCC1(c2ccccc2)CC1)c1cccnc1,1.614897216
Mol1406,C#CCNC(=O)CCc1c(C)nn(C)c1C,1.784831178
Mol1407,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CC2,1.344392274
Mol1408,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(C)=O)C1)CC2,1.740362689
Mol1409,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2,1.791339704
Mol1410,Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2,1.034227261
Mol1411,COc1ccc2nc(NCc3cnn(C)c3)ccc2c1,1.541329578
Mol1412,O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1,1.626340367
Mol1413,Cc1nnc(N2CCCSCC2)c(C#N)c1C,1.373463722
Mol1414,CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ncc(-c2ccccc2)n1C,1.771954749
Mol1415,CC1(C)CN(C(=O)C2(C(=O)N3CC(C)(C)C3(C)C)CCC2)C1(C)C,1.875061263
Mol1416,Cc1cccc(O[C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1,1.79239169
Mol1417,c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5[nH]ncc5C4)c23)c1,1.690107439
Mol1418,CC(C)n1nnnc1-c1ccc(N)cc1F,1.371806459
Mol1419,Cc1nn(C)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21,1.72427587
Mol1420,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl,0.712649702
Mol1421,Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1,1.371067862
Mol1422,CCN1CCc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2C1,1.589949601
Mol1423,Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1,1.558708571
Mol1424,CCCc1nnc(NCc2cn3ccc(C)cc3n2)o1,1.341236623
Mol1425,CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,0.288919606
Mol1426,COc1ccc(C(=O)N2CCCC2)cc1NC(C)C,1.554610285
Mol1427,O=C(OCc1cc(Cl)ccn1)c1ccc2[nH]c(C(F)F)nc2c1,1.544440137
Mol1428,Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12,1.813847754
Mol1429,N#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1,1.814913181
Mol1430,CN(C)c1cccc(Cn2ccnc2-c2ccc(O)cc2)c1,1.433769834
Mol1431,CC(C)(C)OC(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1,0.413299764
Mol1432,N#Cc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1,1.723044992
Mol1433,Cc1noc(OCC(=O)N2CCCCCC2)n1,1.701049631
Mol1434,Cc1csc(NC(=O)c2ccc(-c3ccncc3)cc2)n1,0.369215857
Mol1435,CCN(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C,1.910250772
Mol1436,Cc1cccc(-n2cnnc2CCCN2CCOCC2)c1,1.544440137
Mol1437,Cc1ccnc(C2CCN(C3CCCC3)CC2)n1,1.205745541
Mol1438,Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1,1.757851344
Mol1439,CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO,1.812311609
Mol1440,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3ccsc3)no2)CC1,0.763427994
Mol1441,CC(c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.755112266
Mol1442,O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21,1.339451441
Mol1443,CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2ccnc2)nc1,1.813314059
Mol1444,N#Cc1ccccc1OCc1csc(-c2ncccn2)n1,1.103461622
Mol1445,Nc1ccc2c(c1)ncn2CCc1ccccc1,1.584218112
Mol1446,COc1cccc(CN(C)c2ncnc3c2CN(C)CC3)c1,1.761401558
Mol1447,CCONC(=O)c1sc(C)nc1C,1.462397998
Mol1448,Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1,1.201397124
Mol1449,CC(C)CN1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1,1.564666064
Mol1450,O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1,1.51054501
Mol1451,N#Cc1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1,1.700703717
Mol1452,O=C(O)c1cnc(/C=C/c2csc(-c3ccsc3)n2)s1,1.889357737
Mol1453,FC(F)(F)c1nccc(NCCSc2nc3ccccc3o2)n1,1.65195607
Mol1454,O=C(Cc1cccc(I)c1)N1CC(CO)C1,1.624282096
Mol1455,Cc1nc(NC2(c3cccc(Cl)c3)CC2)c2c(C)noc2n1,1.616790486
Mol1456,CCc1oc2c(-n3cnnc3)cccc2c1C,1.354108439
Mol1457,CCOC(=O)c1cccnc1-c1ccc2[nH]ccc2c1,1.565847819
Mol1458,CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1,1.603252662
Mol1459,Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1,1.124178055
Mol1460,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.469232743
Mol1461,Cc1nn(Cc2csc(-c3cccs3)n2)c(N)c1C#N,1.597695186
Mol1462,COc1ccc2cc(-c3[nH]c(-c4ccc(S(C)=O)cc4)nc3-c3ccncc3)ccc2c1,0.531478917
Mol1463,CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,1.841296887
Mol1464,COc1cccc(-c2cccc(N)n2)c1F,1.260071388
Mol1465,Cc1ccc(CNC(=O)c2cccs2)cn1,1.718750735
Mol1466,Cc1cc(Nc2ccccn2)cc(C2CCCN(CC(=O)Nc3ncc(C)s3)C2)n1,1.81640703
Mol1467,O=C(CCc1ccc(Cl)cc1)N1CCCC(c2n[nH]cc2-c2cccc(F)c2)C1,0.591064607
Mol1468,CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1,1.863263364
Mol1469,CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C,1.748962861
Mol1470,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1,0.481442629
Mol1471,C(=C/c1ccccc1)\CNCc1ccc2c(c1)OCO2,1.602819342
Mol1472,Cc1nc(O)c2c(n1)CN(Cc1ccccc1)CC2,1.630326155
Mol1473,Cn1cc(C(=O)O)c(C2CCCCC2)n1,1.526726867
Mol1474,O=C(COc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2,1.780533325
Mol1475,O=C(NCc1cccnc1)c1sccc1-c1ccccc1,1.816771412
Mol1476,Cc1oc(C)c(C(=O)N2CCNC(=O)C2)c1Br,1.858837851
Mol1477,COc1ccc(-c2ccc(CN(CCN(C)C)Cc3ccncc3)cc2)cc1,1.74647851
Mol1478,O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)CCC2,1.373831145
Mol1479,O=C(NC1CCCCCC1)c1ccc(-c2cnco2)cc1,0.963787827
Mol1480,Cc1cnc(CNCc2cccc3c2OCO3)s1,1.542202782
Mol1481,CNC(=O)Cc1nc(-c2cncc(C)c2)cs1,1.574956776
Mol1482,Cn1ncc2c(Oc3cccc(Oc4ccccn4)c3)ncnc21,1.600101256
Mol1483,CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1,1.283301229
Mol1484,CN(Cc1ccc(N)nc1)c1ncccn1,1.454997217
Mol1485,CN(CCc1ccccc1)C(=O)CC#N,1.51201697
Mol1486,Cc1csc(Nc2ccc(C#N)cc2)n1,1.582063363
Mol1487,Cc1noc(CCNc2ncnc3ccccc23)n1,1.581608366
Mol1488,Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCCCC3)cccc2c1=O,1.68735057
Mol1489,CCCC(=O)N1CCC(c2cccc(C)n2)CC1,1.604226053
Mol1490,O=C(Cc1cccs1)NCc1ccccc1F,1.541454429
Mol1491,O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1F,1.604550033
Mol1492,c1ccc(CCn2cnc3c2CCN(c2ncccn2)C3)cc1,1.612359948
Mol1493,Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1,1.454692449
Mol1494,O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2,1.607455023
Mol1495,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl,1.017033339
Mol1496,O=C(NC1CC1)c1cccc2cccnc12,1.528788192
Mol1497,COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1,1.421603927
Mol1498,C1CCC(OCc2noc(C3CC3)n2)CC1,1.209515015
Mol1499,Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1,0.11058971
Mol1500,CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12,1.710963119
Mol1501,Cn1nc(C2CCNCC2)c2cccnc21,1.727134424
Mol1502,Cc1nc(CNC2CCN(C(=O)C3CC3)CC2)cs1,1.629409599
Mol1503,Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1,0.7084209
Mol1504,CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1,0.130333768
Mol1505,O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC(Oc2cccnc2)CC1,1.385248682
Mol1506,O=C(NC1CCCCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1,0.432969291
Mol1507,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,1.560265398
Mol1508,Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)sc3C)CC2)no1,1.786680453
Mol1509,Cc1cc(-c2nccs2)nc(CC2CCNCC2)n1,1.562887381
Mol1510,CN(Cc1cccc(C#N)c1)c1cnc2ccccc2n1,1.07371835
Mol1511,Cc1ccc(-c2ccnc(O)c2C#N)cc1,1.068185862
Mol1512,COc1cncc(-c2ccnc3[nH]ccc23)c1,1.380211242
Mol1513,Cc1ccc(-n2cc[nH]c(=O)c2=O)cc1,1.631950826
Mol1514,Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1,1.560862695
Mol1515,Cc1cccc(NC2CCN(Cc3ccncc3)CC2)n1,1.575187845
Mol1516,c1ccc(CN2CCn3nccc3C2)cc1,1.184691431
Mol1517,CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12,1.757927183
Mol1518,CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,0.526339277
Mol1519,O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1,1.848435455
Mol1520,CCN(CC)C(=O)N1CCC(C(=O)O)CC1,1.779452183
Mol1521,CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1,1.347330015
Mol1522,Cc1ccc(OCc2noc(-c3ccsc3)n2)cn1,1.722140125
Mol1523,c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,1.544440137
Mol1524,Cc1cc(C)cc(C(=O)Nc2c(C#N)cnn2C)c1,1.582517884
Mol1525,CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,1.556302501
Mol1526,Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C)cc(O)c4c3)CC1)O2,1.305351369
Mol1527,COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1,1.621280168
Mol1528,CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1,1.691700208
Mol1529,O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1,1.567144045
Mol1530,O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12,1.269512944
Mol1531,Cn1cc(CCNc2cncc(Br)c2)cn1,1.606381365
Mol1532,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)c1,1.511080846
Mol1533,Cn1c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc(=O)n(C)c1=O,1.775901579
Mol1534,Cc1noc(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1,0.899820502
Mol1535,Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1,1.696181587
Mol1536,Cc1nnnn1CCN(C)c1ccccc1,1.048053173
Mol1537,CCC(=O)NCc1ccnc(N(C)C)c1,1.485011215
Mol1538,Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1,1.941262909
Mol1539,c1ccc2c(c1)CCN(Cc1nnc3n1CCC3)C2,1.547774705
Mol1540,O=C(NCc1nnc2n1-c1ccccc1CC2)c1ccc2ccccc2c1,1.535800291
Mol1541,Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCO4)cn2)n1,0.586587305
Mol1542,O=C(NCCc1ccc2c(c1)OCO2)C1CCCC1,1.624178926
Mol1543,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1,0.230448921
Mol1544,O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,1.095518042
Mol1545,CCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C,1.650307523
Mol1546,Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)n1,1.798028793
Mol1547,CCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1,0.620136055
Mol1548,CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,1.95438725
Mol1549,CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCCC4)C3)n2)s1,1.728150793
Mol1550,Cc1cc(C)n(-c2cc(Nc3ccccc3C)ncn2)n1,0.240549248
Mol1551,O=C(CC(=O)N1CCCC1)N1CCCC1,1.486572151
Mol1552,CCNC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1,1.760949951
Mol1553,CNC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1,1.703377369
Mol1554,COc1ccc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC,0.826074803
Mol1555,Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3CCCCCC3)c2C)n1,1.737192643
Mol1556,CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1,1.561101384
Mol1557,Cc1ncc(C(=O)Nc2ncnc3oc(C)c(C)c23)s1,1.726156466
Mol1558,Cc1ccc2c(c1)c(Cn1ccnc1-c1cccc(C)n1)nn2C,1.516535374
Mol1559,Cc1noc(C2CCN(CCc3ccccc3)CC2)n1,1.8049568
Mol1560,O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1,1.57818061
Mol1561,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2,1.790285164
Mol1562,Cc1nc(C2CCNCC2)cc(N(C)C)n1,1.58546073
Mol1563,NC(=O)c1ccc(Oc2ccc(C(=O)N3CCCCCC3)cc2)cc1,1.776773802
Mol1564,O=C(CCCOc1ccccc1)N1CCCC1,1.484299839
Mol1565,CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C,1.482015576
Mol1566,Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1,1.094471129
Mol1567,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccnc(-n2cncn2)c1,1.030599722
Mol1568,Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1,0.912222057
Mol1569,O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1,0.613841822
Mol1570,CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1,0.041392685
Mol1571,CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1,1.07809415
Mol1572,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,1.633569443
Mol1573,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,1.6642658
Mol1574,Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1,0.59439255
Mol1575,CC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1,1.627160952
Mol1576,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,1.736396502
Mol1577,O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC1,1.597695186
Mol1578,COc1cc(NC(=O)c2ccc(F)cc2C)ncn1,1.197556213
Mol1579,Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1,1.421932813
Mol1580,CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1,1.497482537
Mol1581,COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1,1.592620821
Mol1582,O=C(CC1CCCC1)NCc1nnc2n1CCC2,1.498586209
Mol1583,COCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1,1.447623098
Mol1584,Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2,1.754806855
Mol1585,CCNc1ccnc(N(C)Cc2nc3ccccc3n2C)n1,1.567849451
Mol1586,COc1ncccc1CNc1ncnc2c1cnn2C,1.668479103
Mol1587,C#CCNC(=O)c1ccc2c(c1)OCO2,1.415474168
Mol1588,CC(C)(C)c1nccc(NCc2ccncc2)n1,1.48301642
Mol1589,CCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1.271376872
Mol1590,CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,1.8896378
Mol1591,Cc1c(C(=O)NCc2cnc(N(C)C)n2C)sc2ccccc12,1.707570176
Mol1592,CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1,1.718501689
Mol1593,Cn1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cn1,1.699490845
Mol1594,CC(C)(C)NC(=O)NCCn1nc2c(cc1=O)CCCC2,1.676327734
Mol1595,COc1cc2nc(/C=C/c3cocn3)sc2cc1OC,1.092018471
Mol1596,CCOc1ncccc1-c1nc(C)cc(NC)n1,1.560504415
Mol1597,Cc1nc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)no1,1.513483957
Mol1598,O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1,1.710709566
Mol1599,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1cccnc1)C2,1.974741905
Mol1600,CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1,1.610660163
Mol1601,CCN(CC#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2,1.607562243
Mol1602,O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1,1.639586087
Mol1603,Cc1cccc(OCCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)c1,1.549983611
Mol1604,CN(C)c1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1,1.133538908
Mol1605,Cc1cc(C(=O)NCC2CC2)n2nccc2n1,1.702344358
Mol1606,Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,1.752816431
Mol1607,O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1,1.941759814
Mol1608,Cc1cncc(C2CCN(Cc3cnccn3)CC2)n1,1.831229694
Mol1609,CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1,1.740993932
Mol1610,O=C(CSc1ccc(F)cc1)N1CCCC1,1.558468563
Mol1611,O=C(c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2=O)CC1,1.976945751
Mol1612,O=C(c1ccncc1)N1CCC(c2cnccn2)CC1,1.786467477
Mol1613,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)cc1,1.59747579
Mol1614,CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C,1.720737977
Mol1615,O=C(Cc1ccc(F)cc1)NCCn1cccnc1=O,1.80126647
Mol1616,Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1,1.269512944
Mol1617,Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1,1.700357528
Mol1618,COc1ccc(-c2cccc(C3CCCN(C(=O)C4CCCC4)C3)n2)cc1,0.389166084
Mol1619,c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1,1.600537294
Mol1620,O=C(Nc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21,0.767897616
Mol1621,CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1,1.463146137
Mol1622,COC(=O)[C@@H]1C[C@H](O)CN1CCc1ccccc1F,1.753965866
Mol1623,CC(C(=O)Nc1ccccc1)N1CCCC(c2nc3ccccc3o2)C1,1.42894429
Mol1624,CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1,1.78497371
Mol1625,COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F,1.492760389
Mol1626,CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.688864568
Mol1627,COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCC(N)=O,1.472171147
Mol1628,Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1,1.365487985
Mol1629,CCOc1ccc(Nc2ncccc2C#N)cc1,0.965201701
Mol1630,CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC,0.33243846
Mol1631,Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12,1.524915148
Mol1632,N#Cc1ccc(C(=O)Nn2cnnc2)cc1,1.254789687
Mol1633,O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1,1.762378429
Mol1634,CN(C)C(=O)Cn1cc(C(=O)O)ccc1=O,1.3232521
Mol1635,Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OCCCO4)cs2)cn1,1.531478917
Mol1636,Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1,1.08278537
Mol1637,C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1,1.330413773
Mol1638,Clc1ccc2[nH]c(COc3ccccc3)nc2c1,1.470263447
Mol1639,COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1noc(C)n1)C2,0.478566496
Mol1640,CCCCNC(=O)c1ccc2c(c1)nnn2C,1.41564098
Mol1641,CN1C(=O)CCc2cc(NC(=O)C(C)(C)c3ccccc3F)ccc21,1.907250083
Mol1642,Cc1csc(CCNc2ncccc2C#N)n1,1.505963518
Mol1643,c1cnc(NCCc2cccc3cccnc23)nc1,1.567731963
Mol1644,Nc1ccc(Cl)c(NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1,1.147985321
Mol1645,Cn1cc(C(=O)N2CCC(CC(=O)O)CC2)cn1,1.758154622
Mol1646,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,1.511883361
Mol1647,N#Cc1cccc(CN2CCN(CCO)CC2)c1,1.46686762
Mol1648,O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21,1.799891685
Mol1649,CC(C)CCN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C,1.668385917
Mol1650,Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,0.728353782
Mol1651,N#CCN1CCCN(Cc2ccc(C#N)cc2)CC1,1.577261954
Mol1652,Cc1cc(C(=O)Nc2ncccc2C)c2ccccc2n1,1.643156466
Mol1653,COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1,1.352761192
Mol1654,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccncc2)CC1,1.810904281
Mol1655,NCCn1cc(NC(=O)c2ccccc2)cn1,1.89795681
Mol1656,Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCC1,1.612359948
Mol1657,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,1.994141111
Mol1658,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)c(OC)c1,1.608739919
Mol1659,Cc1ccc(C(=O)Nc2ccccc2C#N)cc1,1.016197354
Mol1660,CCCCN(C)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1,0.944975908
Mol1661,Cc1cccc(NC(=O)c2noc3c2CCCC3)n1,1.232233521
Mol1662,CN(C)c1cccc(C2CCN(c3ncccn3)CC2)n1,1.22685757
Mol1663,O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1,0.173186268
Mol1664,O=C(O)c1cnn(-c2ccncc2)c1C(F)F,1.503654519
Mol1665,Cc1cccc(OCC(=O)Nc2ccn(C)n2)c1,1.637989781
Mol1666,CNCCN1CCC(OCc2ccccc2)CC1,1.740678425
Mol1667,c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1,1.651762447
Mol1668,CNc1nc(C2CCNCC2)nc2c1CN(C)CC2,1.559308011
Mol1669,Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)nc1,1.496237545
Mol1670,COc1cc(CCNC(=O)c2nc3cccc(C)n3c2F)cc(OC)c1,1.596926814
Mol1671,Cc1cc(C(=O)NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)on1,0.396199347
Mol1672,Cc1ccc(CN(C)Cc2c(C)noc2C)o1,1.500099192
Mol1673,CC(=O)N1CCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21,0.079181246
Mol1674,CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1,1.599664779
Mol1675,CC(C)c1noc(CN(C)C2CCCC2)n1,1.237040791
Mol1676,CN(C)Cc1ccc(-c2ccccc2C(=O)O)cc1,1.484157424
Mol1677,CCCN1CCCN(C(=O)c2nc3ccccc3[nH]2)CC1,1.693287157
Mol1678,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,1.516204735
Mol1679,CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccccc21,1.618048097
Mol1680,C=CCn1cc(CNCc2csc3ccc(Cl)cc23)c(C)n1,1.330413773
Mol1681,C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1,1.437909036
Mol1682,NC(=O)C1(CCCc2ccccn2)CCNCC1,1.587486465
Mol1683,c1cc(CC2CCNCC2)c2cccnc2c1,1.717920026
Mol1684,CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1,0.960946196
Mol1685,COCCN(Cc1cccs1)Cc1cccc(C)c1O,0.021189299
Mol1686,COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2,1.727703884
Mol1687,CCNC(=O)c1ccnc(-c2ccc(F)c(C)c2)c1,1.452706227
Mol1688,COc1cccc(NC(=O)C2CNC2)c1,1.470116353
Mol1689,Nc1ccnn1Cc1ccc(Cl)c(F)c1,1.613524703
Mol1690,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,1.059184618
Mol1691,O=C(O)c1cc(Cl)cc2cccnc12,1.429429264
Mol1692,O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1,1.698535493
Mol1693,Oc1cccc(CN2CCN(c3ncc(Br)cn3)CC2)c1,0.694605199
Mol1694,Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)O,1.409933123
Mol1695,Cc1ccccc1NC(=O)CN1C(=O)CCC1=O,1.559547556
Mol1696,CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1,1.547159121
Mol1697,COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1,1.759063188
Mol1698,CC(C)N1CC[C@H](c2nnc(-c3cncn3C)o2)C1,1.594282029
Mol1699,C#CCN1CCN(Cc2nc(O)cc(C(F)(F)F)n2)CC1,1.632659713
Mol1700,CCc1cc2c(Nc3cnn(CC)c3)ncnc2s1,1.633670406
Mol1701,CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.798305282
Mol1702,O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0.423245874
Mol1703,CCc1nnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1,1.640978057
Mol1704,CC1CC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.507855872
Mol1705,O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3sccc23)CC1,0.62838893
Mol1706,O=C(CSCCCn1c(=O)[nH]c2ccccc21)N1CCCCC1,1.77524626
Mol1707,CCOC(C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.810568529
Mol1708,O=C1CCCN1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.201397124
Mol1709,CC(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1,1.773786445
Mol1710,Cn1cc(NC(=O)c2csc(Cc3ccccc3)n2)cn1,1.538322333
Mol1711,CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,0.017033339
Mol1712,Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1,1.702861171
Mol1713,Cc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1,1.606918526
Mol1714,Cc1ccc(OCc2nc3cc(N)ccc3[nH]2)cc1,1.224014811
Mol1715,Cc1cc(Cl)c(OCCCN2CCNCC2)c(Br)c1,1.566437492
Mol1716,CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,1.042378598
Mol1717,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,0.472024698
Mol1718,Cc1csc(NC(=O)c2cccc(C)c2C)n1,1.052693942
Mol1719,CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl,1.384263786
Mol1720,c1ccc(Cc2cccc3cc4c(nc23)OCCNC4)cc1,1.679609572
Mol1721,Oc1ccccc1NCc1ccccn1,1.644241586
Mol1722,COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,1.811709027
Mol1723,CCCc1cc(-c2nn3c(C4CCCC4)nnc3s2)n(C)n1,1.12904506
Mol1724,C/N=C(\NC#N)NCCSCc1nc[nH]c1C,1.619093331
Mol1725,Cc1cc(C)nc(CNC(=O)CC2CCNCC2)n1,1.744605875
Mol1726,Cc1nnc(-c2cccc(C(=O)O)c2)o1,1.536432176
Mol1727,O=C(c1cccs1)N1CCCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)C1,1.392696953
Mol1728,Cc1ccsc1-c1nc(CN(C)CCc2cn[nH]c2)c(C)o1,1.746166964
Mol1729,Cc1nc(C#N)c(C#N)n1Cc1csc(-c2cccs2)n1,1.508529719
Mol1730,O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1,0.63447727
Mol1731,CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1,1.430719888
Mol1732,CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.461648568
Mol1733,Fc1ccc(-c2cc(C3CCNCC3)ccn2)cc1,1.613101517
Mol1734,CCC(CC)NC(=O)c1ccc(C#N)c(C)n1,1.723783937
Mol1735,Cc1cc(Oc2cnccn2)ccc1N,1.340444115
Mol1736,CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1,0.008600172
Mol1737,CCc1cnc(CCNc2cncc(Cl)n2)s1,1.68115075
Mol1738,Cc1cccc(OCCn2c(N)nc3ccccc32)c1,1.592398846
Mol1739,O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(COCc2ccco2)c1,1.329397879
Mol1740,C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1,0.58546073
Mol1741,O=C(Nc1ccccc1)Nc1ccccc1,0.591064607
Mol1742,Cc1noc(-c2ccccc2C(=O)O)n1,1.54740546
Mol1743,C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(Br)cc1,0.58546073
Mol1744,Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1,1.498310554
Mol1745,O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCOCC1,1.633165354
Mol1746,c1ccc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CCCNC4)cc2)cc1,0.661812686
Mol1747,CNc1cc(C)nc(-c2ccnc3c2ccn3C)n1,1.465382851
Mol1748,CS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1,1.722387094
Mol1749,O=C(Nc1cccc2cnccc12)c1cccc(F)c1,1.677880582
Mol1750,NCc1ccc(Oc2ccccc2)nc1,1.342422681
Mol1751,O=C(c1ccc(F)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1,1.305351369
Mol1752,Nc1cnn(CC(=O)N2CCCCC2)c1,1.561339941
Mol1753,Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1,1.73239376
Mol1754,CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,1.97482245
Mol1755,Cc1noc(C2CCN(CC(N)=O)CC2)n1,1.48784512
Mol1756,CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1,1.764549719
Mol1757,COc1cc2c(c(OC)c1OC)CCNC(=O)C2,1.695744275
Mol1758,Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12,1.511883361
Mol1759,CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,1.716587578
Mol1760,O=C(C1CC1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.678973376
Mol1761,O=C(C1CC1c1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.697665163
Mol1762,Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1,0.712649702
Mol1763,Cc1ccn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)n1,0.984527313
Mol1764,COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O,1.714497409
Mol1765,CSCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1,1.695043659
Mol1766,O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1,1.529558673
Mol1767,CCC(=O)N1CCCC(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2C)C1,1.738780558
Mol1768,O=C(C1CC1)N1CCCC(C(=O)N2CCc3ccccc3C2Cc2ccccc2)C1,1.653694795
Mol1769,O=C(C1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1,1.725911632
Mol1770,O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCc2ccccc2C1,1.758533422
Mol1771,O=C(C1CCCN(c2ccc(Cl)nn2)C1)N1CCc2ccccc2C1,1.696793085
Mol1772,O=C(C1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1,1.691965103
Mol1773,CC(=O)N1CCCC(C(=O)N2CCc3c(cccc3C(C)C)C2)C1,1.739967697
Mol1774,CSc1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,0.929418926
Mol1775,CCONC(=O)c1cnn(-c2cccc(Cl)c2)c1,1.613101517
Mol1776,Cc1ccc(NC(=O)c2cccc3cccnc23)cc1,0.755874856
Mol1777,Cc1cnn(Cc2cc(F)ccc2F)c1N,1.615318657
Mol1778,CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC,1.356599436
Mol1779,O=C(Cn1ccnc1)NCc1ccccc1F,1.688063697
Mol1780,C#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1,1.867762025
Mol1781,Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1,0.462397998
Mol1782,CC(C)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1,0.695481676
Mol1783,CC(C)CCNC(=O)c1ccc2ccccc2n1,0.862131379
Mol1784,Cc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1,1.301247089
Mol1785,Nc1nccc2ccc(-c3cccc(F)c3)cc12,0.477121255
Mol1786,Cc1ccc2oc([C@H]3CCN(Cc4ccc(C#N)cc4)C3)nc2c1,0.73239376
Mol1787,COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1,1.167317335
Mol1788,c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1,1.265053789
Mol1789,Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1,0.876217841
Mol1790,CCONC(=O)Cc1coc2c(C)c(C)ccc12,1.534026106
Mol1791,O=C(NCc1cccc(O)c1)Nc1ccccc1F,1.561578368
Mol1792,O=C(NCCc1ccc(O)c(O)c1)Nc1ccccn1,1.67660217
Mol1793,N#CC1(NC(=O)C2CCCCCC2)CC1,1.523095838
Mol1794,Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1,1.62930764
Mol1795,CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2,1.876275589
Mol1796,CC(=O)n1c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc2ccccc21,0.73479983
Mol1797,Cc1nc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)ccc2n1C,1.827756863
Mol1798,Cc1ccc(OCC(=O)Nc2ccncc2)c(C)c1,1.672651923
Mol1799,Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1,0.903089987
Mol1800,Cc1cc(C(=O)NCC2(c3ccccc3)CC2)on1,1.603360924
Mol1801,Cc1cc(F)ccc1NC(=O)Cn1cncn1,1.545925329
Mol1802,Cc1ccc(-c2nnc(SCCn3cccn3)[nH]2)cc1,1.338456494
Mol1803,Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1,1.635282638
Mol1804,CC(c1ccccc1)N1CC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O,1.855519156
Mol1805,CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1,0.278753601
Mol1806,O=C(Nc1ccccn1)c1cccc2ccccc12,1.547282308
Mol1807,O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1,1.735199548
Mol1808,CC(=O)N1CCC(c2ccc(C(=O)O)cn2)CC1,1.704150517
Mol1809,CCS(=O)(=O)CC(=O)Nc1cc(C)ccc1C,1.606596309
Mol1810,O=C(Nc1cccc(Cl)c1F)c1cccc(N2CCCC2=O)c1,0.531478917
Mol1811,Cc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1,0.602059991
Mol1812,CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1,0.367355921
Mol1813,CCCc1nnc2sc(-c3cc(C(C)C)nn3C)nn12,1.251881455
Mol1814,Oc1ccc(-c2noc(-c3cccnc3)n2)cc1,0.701567985
Mol1815,CONC(=O)c1cn(-c2ccc(Br)cc2)cn1,1.803525396
Mol1816,CC1(C(=O)O)CCN(Cc2ccccc2)CC1,1.652633068
Mol1817,CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2nc[nH]n2)cc1,1.56549363
Mol1818,COc1ncc(-c2cccc(N(C)C)c2)c(OC)n1,1.396199347
Mol1819,O=C1C(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1c1ccccc1,1.792741786
Mol1820,O=C(NCCc1cccc2cccnc12)C1CCCCC1,1.620136055
Mol1821,CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1,0.086359831
Mol1822,Cc1nc(C2CCN(CC(N)=O)CC2)no1,1.787956123
Mol1823,CN(C)[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1O,1.920645001
Mol1824,O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1,0.643452676
Mol1825,CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1,0.742725131
Mol1826,COc1ccc(N)cc1N1CCOC1=O,1.508395033
Mol1827,CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],1.103803721
Mol1828,COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1,1.482158695
Mol1829,COc1ncccc1NC(=O)c1cccc(C)n1,1.378034322
Mol1830,O=C(NCc1ccc(O)cc1)Nc1ccncc1F,1.577836341
Mol1831,N#Cc1cccc(CN2CCOC[C@H](O)C2)c1,1.324488233
Mol1832,NC(=O)CN1CCC(CCc2ccccc2)CC1,1.616265405
Mol1833,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1,0.389166084
Mol1834,COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1,1.666705136
Mol1835,Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1,1.680335513
Mol1836,COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F,1.642860053
Mol1837,c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1,1.707229419
Mol1838,CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1,1.103119254
Mol1839,CN1CCN(C(=O)C2(NC(=O)c3cc(Cl)c4c(c3)OCO4)CCCC2)CC1,1.897682062
Mol1840,COCc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCCC2)o1,1.579326204
Mol1841,N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1,0.57054294
Mol1842,COCc1nc(C2CCN(CCO)CC2)no1,1.557507202
Mol1843,CN(CCC#N)Cc1cc(C#N)ccc1F,1.496929648
Mol1844,Cc1cccnc1NC(=O)CCc1ccc(F)cc1,1.580468784
Mol1845,COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2,0.498310554
Mol1846,CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1,1.859738566
Mol1847,CC(=O)N1c2ccccc2C[C@H]1C(=O)O,1.525951341
Mol1848,C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,1.422835969
Mol1849,O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1,1.541953474
Mol1850,Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21,1.856608068
Mol1851,Cc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C,1.776846409
Mol1852,O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,1.706290957
Mol1853,COc1ccc(CN(C)c2ncncc2Br)cc1O,1.74530906
Mol1854,O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1,1.743509765
Mol1855,COc1ccc2c(c1)CN(c1nc(C)cc(C)n1)CC2,1.004751156
Mol1856,Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1,1.410608543
Mol1857,COc1ccc(CCCNc2nnc(C)o2)cc1,1.405517107
Mol3057,CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)nc2O1,-0.15490196
Mol3058,N#Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cc1F,1.820201459
Mol3067,CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(O)n2n1,1.64246452
Mol3068,COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1,-1.0
Mol3069,NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2cccc(F)c2)CC1,1.799340549
Mol3070,CC(=O)Nc1ccc(O)cc1,1.442479769
Mol3084,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1,-0.045757491
Mol3085,Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1,-0.698970004
Mol3087,N#Cc1ccc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)c(F)c1,1.117271296
Mol3089,O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(-n2cnnn2)cc1,-0.022276395
Mol3090,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,1.183839037
Mol3091,Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1,1.556423121
Mol3092,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,-0.455931956
Mol3117,COc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1,-0.744727495
Mol3118,CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2C)[nH]n1,-0.585026652
Mol3119,O=C(Nc1ccc(Cl)cn1)C1(c2cccc(Cl)c2)CC1,-0.48148606
Mol3120,Cc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1,-0.070581074
Mol3121,COc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12,-0.346787486
Mol3122,O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(O)cc1O,-0.070581074
Mol3123,O=C1N=C(N2CCCCN2)S/C1=C\c1ccc(F)cc1O,-0.045757491
Mol3124,N#Cc1ccc(COc2cnc3ccccc3n2)cc1,-0.721246399
Mol3125,COc1ccc(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1,-0.455931956
Mol3126,CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl,-0.657577319
Mol3127,CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1,1.58591171
Mol3128,Nc1nc2c3ccccc3oc2c2ccccc12,-0.602059991
Mol3129,COc1ccccc1N1CCN(c2nc(-c3ccc(C)cc3)cc(=O)[nH]2)CC1,-0.698970004
Mol3130,c1ccc(Cc2ccccc2-c2nnc(-c3cccnc3)o2)cc1,-0.657577319
Mol3131,Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1,-0.397940009
Mol3132,Cc1ccc(NC(=O)c2c([O-])n(-c3ccc(C)cc3)n[n+]2Cc2ccccc2)cc1,-0.677780705
Mol3133,N#C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2cc(Cl)ccc2c(=O)[nH]1,-0.769551079
Mol3134,CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1,-0.013228266
Mol3135,O=C1/C(=C2/CCCCCN2)C(Nc2ccccc2)=NN1c1ccccc1,-0.26760624
Mol3136,Fc1cccc(Cn2nnc(-c3ccccc3)n2)c1F,-1.0
Mol3137,O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1,-0.387216143
Mol3138,CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)=O)cc1,-0.346787486
Mol3139,CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1(C#N)CCC1,-0.657577319
Mol3140,COc1ccc(C(C)(C)C)cc1NC(=O)C1(C#N)CCCC1,-0.522878745
Mol3141,CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1,-0.602059991
Mol3142,Cc1cc(F)ccc1NC(=O)c1cccc2cccnc12,-0.356547324
Mol3143,CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1,-0.397940009
Mol3144,Cc1cc(C)c(NC(=O)Cn2nnn(-c3cccs3)c2=O)c(C)c1,-0.113509275
Mol3145,Cc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1,-0.552841969
Mol3146,COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C#N)s3)c2cc1OC,-0.522878745
Mol3147,Cc1oc2cc(OCC(=O)Nc3nccs3)ccc2c(=O)c1Oc1ccc(F)cc1,-0.301029996
Mol3148,N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1,-0.148741651
Mol3149,Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1,-0.187086643
Mol3150,FC(F)(F)c1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)ccc3[nH]2)cc1,-0.455931956
Mol3151,CCOC(=O)C1CCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1,-0.055517328
Mol3152,Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C)c1-n1cnnn1,1.2509077
Mol3153,O=C(Nc1nncs1)c1ccc(N2CCC3(CCCCC3)C2)nc1,-0.180456064
Mol3154,COc1ccccc1N1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1,-0.698970004
Mol3155,Cc1cc(NC(=O)Cn2nc(C3CC3)ccc2=O)ccc1Cl,-0.065501549
Mol3156,CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1,-0.045757491
Mol3157,O=C(Nc1ccccc1)Nc1ccc(OC(F)(F)F)cc1,-0.096910013
Mol3158,NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1,-0.602059991
Mol3159,COc1ccc2nc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2c1,-0.823908741
Mol3160,Cc1cccc2sc(NC(=O)c3cccnc3)nc12,-0.283996656
Mol3161,Cc1ccc(C(N)=O)c(OCc2c(Cl)ccc3cccnc23)c1,-0.214670165
Mol3162,O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCc2ccccc21,0.762678564
Mol3163,CN(C(=O)OC(C)(C)C)c1ccc2ccccc2n1,-0.552841969
Mol3164,Cc1cc2ccccc2n1CC(=O)N(C)Cc1cnn(C)c1,1.67651071
Mol3165,c1ccc2c(c1)nnn2Cc1ccc2c(c1)OCO2,-0.017728767
Mol3166,O=C(CCOc1ccccc1)N1CCCC(c2n[nH]cc2-c2ccc(Cl)cc2)C1,-0.096910013
Mol3167,O=C(Nc1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1,-0.585026652
Mol3168,O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O,1.623042434
Mol3169,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1,-0.37675071
Mol3170,Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4cccnc4)cc3)oc2C)cc1,-0.48148606
Mol3171,Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1,-0.744727495
Mol3172,COc1ccc(-c2cnn3c(N)c(-c4ccccc4)cnc23)cc1OC,-0.721246399
Mol3173,COc1ccc(-c2nnc3nn(C)c(=O)n3c2-c2ccc(OC)cc2)cc1,-0.602059991
Mol3174,COc1ccc(-c2csc(CC(N)=O)n2)cc1,1.495544338
Mol3175,CNC(=O)c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1,-0.119186408
Mol3176,CCOC(=O)c1ccc(OCC(=O)c2c[nH]c3ccccc23)cc1,-0.161150909
Mol3177,Cc1cnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1,-0.677780705
Mol3178,COc1cc2c(cc1OC)-c1[nH]nc(NCc3c(Cl)cccc3Cl)c1C2=O,-0.537602002
Mol3179,O=c1[nH]c2nc(N3CCc4ccccc4C3)ncc2c(=O)n1-c1ccccc1,-0.698970004
Mol3180,COc1ccccc1-n1cc2c(c1-c1ccccc1Br)c(=O)n(C)c(=O)n2C,-0.091514981
Mol3181,COCc1noc(-c2ccc(-c3cc(C)cc(C)c3)nc2)n1,-0.677780705
Mol3182,Oc1cccc(/C=C/c2nc3ccccc3o2)c1,-0.15490196
Mol3183,Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl,-0.721246399
Mol3184,C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C,-0.522878745
Mol3185,CN(C(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1ccccc1,-0.455931956
Mol3186,Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,-0.387216143
Mol3187,Cc1ccc(-c2csc(CC(N)=O)n2)cc1C,1.55448916
Mol3188,CS(=O)(=O)N1CCc2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc21,-0.356547324
Mol3189,Cc1cccc(Nc2ccc(C3CCN(C(=O)c4cc5cc(F)ccc5n4C)CC3)nc2)n1,-0.721246399
Mol3190,CC(C)C(=O)Nc1ncc(-c2ccccc2)s1,-0.259637311
Mol3191,Cc1cc(C)c(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)c1,-0.920818754
Mol3192,O=C(Nc1ccccc1)c1c([O-])n(-c2ccccc2)n[n+]1Cc1ccccc1,-0.698970004
Mol3193,CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1,1.764699064
Mol3194,COc1ccc(OCc2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1,-0.698970004
Mol3195,N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1,0.322219295
Mol3196,Cn1cc(-c2ccnc(/C=C/c3ccc(F)cc3Br)n2)cn1,-0.167491087
Mol3197,Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1,-0.301029996
Mol3198,Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)cn23)n(C)c1=O,-0.040958608
Mol3199,NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)c1,-0.619788758
Mol3200,Cc1nc(Nc2ccc(F)cc2)nc2c1ncn2-c1ccc(F)cc1,-0.853871964
Mol3201,CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1,-0.148741651
Mol3202,Fc1ccc(Nc2nc(N3CCCCC3)c3nccnc3n2)cc1,-0.920818754
Mol3203,Cc1nnc(-c2ccccc2NCc2ccsc2)o1,-0.031517051
Mol3204,Fc1ccc(-n2cc(/C=C/c3ccnnc3)nn2)cc1Cl,-0.568636236
Mol3205,Cc1cc(C(=O)NC2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)on1,-0.017728767
Mol3206,Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1-c1ccccc1O,-0.721246399
Mol3207,Cc1sc2ncnc(OCC(=O)Nc3ccc4c(c3)OCO4)c2c1C,-0.585026652
Mol3208,O=c1c2cc(OCc3ccc(Cl)cc3)ccc2nc2n1CCCCC2,-0.420216403
Mol3209,COc1ccc2c(-c3ccccc3)cc3nnnn3c2c1,-0.823908741
Mol3210,CC(C)COc1cc(F)cc(-c2cncc(C(=O)N3CCCC3)n2)c1,-0.15490196
Mol3211,COc1cccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)c1,-0.045757491
Mol3212,CCc1nnc2c3ccccc3nc(Nc3ccc(OC)cc3)n12,-0.853871964
Mol3213,O=S(=O)(c1ccccc1Cl)N1CCCc2cnc(N3CCOCC3)nc21,0.0
Mol3214,COc1ccccc1NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12,-0.568636236
Mol3215,Cc1ccc2[nH]c(C3CN(C(=O)Cc4cccc5ccccc45)C3)nc2c1,-0.522878745
Mol3216,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)s1,-0.455931956
Mol3217,C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)c3c(N)ncnc32)C1,-0.769551079
Mol3218,COc1ccc(-c2[nH]c3ncccc3c2CN(C)CCOc2ccccc2OC)cc1,-0.522878745
Mol3219,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1,1.905256049
Mol3220,CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCO3)cc1,-0.356547324
Mol3221,CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1,-0.397940009
Mol3222,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,-0.853871964
Mol3223,Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(N)=O,-0.795880017
Mol3224,CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1,-0.187086643
Mol3225,Cc1ccc(-c2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cs2)cc1,-0.585026652
Mol3226,CCCCOc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1,-0.698970004
Mol3227,c1ccc(CNc2nn3nnnc3c3ccccc23)cc1,-1.0
Mol3228,COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,1.193124598
Mol3229,CS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccc(F)cc2)C1,-0.431798276
Mol3230,Cc1cc(NC(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)no1,-0.522878745
Mol3231,COC(=O)[C@@H]1C[C@H](O)CN1CC#Cc1ccc(Cl)cc1,1.50242712
Mol3232,Cc1ccsc1C(=O)Nc1nc2ccccc2s1,-0.537602002
Mol3233,CCC(=O)Nc1cccc(C(=O)N2CCN(C)Cc3ccccc32)c1,-0.698970004
Mol3234,C1CCN(c2nc(NC3CC3)nc(N3CCCCC3)n2)CC1,-0.207608311
Mol3235,Cc1ccc(-c2ccc(NC(=O)c3ncoc3-c3ccccc3)cc2)o1,-0.431798276
Mol3236,CCOc1ccc(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3nc(C)nc(C(N)=O)c32)cc1,-0.408935393
Mol3237,CSCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1,-0.431798276
Mol3238,Cc1cccc(CNc2cccc3c2CCN(S(C)(=O)=O)C3)c1,-0.455931956
Mol3239,Cc1ccc(C(=O)COC(=O)c2cc(O)nc3ccccc23)cc1,-0.161150909
Mol3240,COc1cccc(NC(=O)c2c([O-])n(-c3cccc(OC)c3)n[n+]2C)c1,-0.721246399
Mol3241,CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,-0.657577319
Mol3242,O=C(Cn1cccc(C(=O)Nc2cccc(-n3cccn3)c2)c1=O)NC1CCCCC1,-0.096910013
Mol3243,Oc1ccc(-c2noc(C3CC3)n2)cc1,1.689752696
Mol3244,c1ccc(OCc2nc3cc4ccccc4cc3[nH]2)cc1,-0.537602002
Mol3245,CCCCOc1ccccc1-c1cc(C(=O)NCCc2cccs2)[nH]n1,-0.431798276
Mol3246,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-n2cncn2)cc1,-0.744727495
Mol3247,COc1cc(OC)cc(-n2c(S)nnc2COc2cccc3ccccc23)c1,-0.552841969
Mol3248,Cc1ccc(CC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1,-0.420216403
Mol3249,O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccccc1Cl,-0.431798276
Mol3250,Cc1ccc(Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)cc1,-0.455931956
Mol3251,COc1cccc(-c2nnn(Cc3cc(F)cc4cccnc34)n2)c1,-0.853871964
Mol3252,CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)cc1,-0.346787486
Mol3253,CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1,-0.522878745
Mol3254,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1,-0.698970004
Mol3255,O=C(Nc1nc(-c2cccnc2)cs1)C1CCCCC1,-0.677780705
Mol3256,COc1cccc(-n2c(S)nnc2COc2cccc3ccccc23)c1,-0.585026652
Mol3257,N#Cc1cc2c(nc1SCc1cccnc1)CCCCCC2,-0.657577319
Mol3258,N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1,-0.283996656
Mol3259,Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1,-0.119186408
Mol3260,CN(C)S(=O)(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,-0.823908741
Mol3261,Cc1cc(F)ccc1S(=O)(=O)N1CCCc2cnc(N3CCOCC3)nc21,-0.508638306
Mol3262,CCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1,1.07371835
Mol3263,CS(=O)(=O)Cc1cc(-c2ccccc2)on1,1.496098992
Mol3264,Cc1ccc(C)c(CN2C(=O)C(=O)N(CC(C)C)C2=O)c1,0.243038049
Mol3265,COCc1cccc(NC(=O)c2cn(C)c3ccccc23)c1,0.56937391
Mol3266,O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1,-0.301029996
Mol3267,N#Cc1c(N2CCCC2)oc2nc3ccccc3nc12,-0.522878745
Mol3268,NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,2.154576117
Mol3269,NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,2.018076064
Mol3270,Cc1nnc(NC(C2CC2)C2CC2)c(C#N)c1C,0.877371346
Mol3271,Cc1ccnc(NC(=O)C2CCN(CCc3cccs3)CC2)c1,1.816440168
Mol3272,c1cncc(-c2ccnn2CN2CCOCC2)c1,1.239049093
Mol3273,Brc1cnc2ccccc2c1,-0.033858267
Mol3274,COc1cc(/C=C/c2nccc(C#N)n2)ccc1F,0.514547753
Mol3275,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,0.565257343
Mol3276,Cc1cnc(CS(=O)(=O)C2CCCC2)cn1,1.558708571
Mol3277,Cc1cccc2c(=O)n(CCC(=O)Nc3cc(C4CC4)n[nH]3)cnc12,0.916980047
Mol3278,CCn1c(=O)c2cc(OC)c(OC)cc2n(Cc2ccc(Cl)cc2)c1=O,-0.397940009
Mol3279,CNC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1cccc(CN(C)C)c1)c1ccccc1,0.923761961
Mol3280,CCc1cc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)[nH]n1,1.199480915
Mol3281,N#Cc1ncn(Cc2ncc(-c3ccccc3)s2)c1C#N,1.647871765
Mol3282,CC(C)c1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)[nH]n1,0.813580989
Mol3283,O=C(Nc1nc2ccccc2[nH]1)C1CCCO1,1.550228353
Mol3284,Cc1ccc(N/N=C2\C(=O)N(C)N=C2Nc2ccccc2Cl)cc1,-0.301029996
Mol3285,O=c1[nH]c2cc3ccccc3c(=O)n2c2sc3c(c12)CCCC3,1.180699201
Mol3286,Cn1ccnc1COc1ccc(CO)cc1,1.758760544
Mol3287,CCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O,-0.301029996
Mol3288,C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,1.789580712
Mol3289,CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)O)cc2)c1,1.904607364
Mol3290,Cc1noc2ncc(-c3nnc(CC(C)(C)C)o3)cc12,1.57599562
Mol3291,CCOc1ncccc1C(=O)Nc1sccc1C#N,0.053078443
Mol3292,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,-0.15490196
Mol3293,COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,-0.045757491
Mol3294,CNc1cc(CC2CCNCC2)ncn1,1.486005186
Mol3295,CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)CO)C2,-0.091514981
Mol3296,CCOc1ccccc1N/C=C1\C(=O)Oc2ccccc2C1=O,-0.180456064
Mol3297,CCN(CC)CCCNc1c2c(nc3ccccc13)CCC2,1.405687787
Mol3298,O=C(NCC(F)(F)F)c1ccncc1,1.487138375
Mol3299,O=C(Cc1cccc2ccccc12)NCc1ccc(N2CCCC2=O)cc1,1.149834697
Mol3300,O=C(O)c1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1,-0.004364805
Mol3301,CCOC(=O)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)OC)ccc32)cc1,-0.080921908
Mol3302,O=C(CC1CCCC1)NCc1ccncc1,1.763278211
Mol3303,Cc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1,-0.537602002
Mol3304,CCOC(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1,1.750354089
Mol3305,C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1,0.350248018
Mol3306,COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,-0.045757491
Mol3307,O=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1,-0.086186148
Mol3308,Cc1ccc(S(=O)(=O)NC(=O)c2c(C)cc3n2CCn2c(C)ccc2-3)cc1,1.519827994
Mol3309,O=C(O)Cc1nc2ccccc2[nH]1,1.002166062
Mol3310,Fc1ccc2oc(Cn3nnc(-c4ccsc4)n3)nc2c1,1.480581787
Mol3311,CC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12,-0.27572413
Mol3312,NCCOc1cccc(C(F)(F)F)n1,1.337459261
Mol3313,N#Cc1c(N)nc(-c2ccccc2)nc1C(F)(F)F,-0.721246399
Mol3314,O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3,-0.102372909
Mol3315,N#Cc1cnn(-c2ccc(F)cc2)c1N,1.46478752
Mol3316,N#Cc1ccsc1NC(=O)c1ccccn1,0.771587481
Mol3317,CN(Cc1sccc1Br)c1nccnc1C#N,0.929418926
Mol3318,Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)nc1,-0.744727495
Mol3319,O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1,-0.397940009
Mol3320,Cc1ccc(/C(N)=N/OC(=O)c2ccc3c(c2)OCCO3)cc1,-0.48148606
Mol3321,Cc1[nH]ncc1-c1nn2c(Cc3ccccc3Cl)nnc2s1,0.621176282
Mol3322,Nc1nc2c(N)ncnc2[nH]1,1.250420002
Mol3323,COc1ccc(C2=N/C(=C/c3cc4ccccc4n3C(C)=O)C(=O)O2)cc1,0.369215857
Mol3324,c1ccc2nc(N3CCC(c4nc5ccccc5[nH]4)CC3)cnc2c1,0.380211242
Mol3325,COc1cc(CC(=O)Nc2ccccc2F)ccc1C,1.414639147
Mol3326,COc1ccccc1-c1csc(-n2ncc(C#N)c2N)n1,-0.886056648
Mol3327,Cc1cc(OCc2cc(C#N)ccc2F)ccc1N,1.40534636
Mol3328,Cc1ncc(CN(C)c2nnc(C)c(C)c2C#N)s1,1.45591024
Mol3329,CCN(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1,0.146128036
Mol3330,O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1,-0.397940009
Mol3331,CC1(C)CN(C(=O)c2cscn2)CCS1(=O)=O,1.601081728
Mol3332,CNc1ccc(/C=C/C=C/c2nc3ccc(O)cc3s2)cn1,-0.657577319
Mol3333,COc1cccc(-c2nnn(-c3ncnc4sc5c(c34)CCC5)n2)c1,-0.585026652
Mol3334,NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21,-0.823908741
Mol3335,Cc1cc(C)cc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1,-0.013228266
Mol3336,N#Cc1ccccc1OCn1nnc2ccccc2c1=O,-0.187086643
Mol3337,Clc1cccc(Nc2ncnc3[nH]ncc23)c1Cl,0.509874285
Mol3338,N=C1/C(=C\c2ccco2)C(=O)N=C2Sc3ccccc3N12,-0.13667714
Mol3339,CN(C)S(=O)(=O)N(C1CCCC1)C1CC1,1.513350799
Mol3340,O=C(Nc1ccc(F)cc1)[C@H](O)c1ccccc1,1.632457292
Mol3341,CCn1nccc1-c1n[nH]c(=O)n1Cc1ccccc1,1.430719888
Mol3342,COc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,0.311753861
Mol3343,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(OS(=O)(=O)C(F)(F)F)c3n2)COC1,-0.397940009
Mol3344,COc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2,-0.455931956
Mol3345,Cc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12,-0.318758763
Mol3346,Cc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2,-0.48148606
Mol3347,COc1cccc(/C=C2/N=C(c3ccccc3)NC2=O)c1OC,-0.48148606
Mol3348,COCC(=O)N1CCN2C(=O)NC[C@H]2C1,1.584331224
Mol3349,CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1,-0.26760624
Mol3350,CCc1cc2c(N3CCN(Cc4nccn4C)CC3)ncnc2s1,1.82445127
Mol3351,Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccn4)CC3)c2c1C,0.267171728
Mol3352,CC(=O)N[C@H]1/C(=N\OC(=O)Nc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O,1.822168079
Mol3353,CNC(=O)c1cc(-c2ccccc2)no1,1.567731963
Mol3354,CCc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1,1.748962861
Mol3355,CC(C)(C)OC(=O)N1CC=C(CCC(=O)NO)C1,1.643353962
Mol3356,CN(C)c1nc(-c2cccc(-c3ccccc3)c2)n[nH]1,-0.091514981
Mol3357,CCn1nnc2cc(C(=O)Nc3cccc(C#N)c3)ccc21,0.0
Mol3358,O=C(Nc1ccn(-c2ncccc2Cl)n1)c1csnn1,1.454692449
Mol3359,O=C(Nc1cc(C2CC2)n[nH]1)C1CCN(C(=O)COc2ccccc2)CC1,1.628082261
Mol3360,COc1ccc(OC)c(N/C=C2\C(=O)Oc3ccccc3C2=O)c1,-0.15490196
Mol3361,N#Cc1nncn1CC(=O)Nc1ccc2ccccc2c1,1.357172258
Mol3362,Cc1nc2ccc(C(=O)NCCCN3Cc4ccccc4C3)cc2[nH]1,1.719579858
Mol3363,CC(Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(N)=O,0.33243846
Mol3364,CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1,-0.522878745
Mol3365,COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1,-0.508638306
Mol3366,Cc1nn(-c2ccccc2)c(C)c1CN,1.305995883
Mol3367,O=C1NC(c2ccccc2)=N/C1=C/c1ccc2c(c1)OCO2,-0.508638306
Mol3368,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,1.737987326
Mol3369,N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CNC1,1.5132176
Mol3370,CN(C)C(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1,0.382017043
Mol3371,Clc1ccc2oc(/C=C/c3csnn3)nc2c1,-0.721246399
Mol3372,COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1,1.255754787
Mol3373,Cn1cc(-c2nc(C(F)(F)F)c[nH]2)cn1,1.604009932
Mol3374,O=C(CCc1cccs1)Nc1ccc(N2CCCC2)cn1,0.071882007
Mol3375,C#CCNC(=O)CN1C(=O)c2ccccc2C1=O,1.589837943
Mol3376,CC(C)(C)OC(=O)N1CCNC(=O)C1,1.535167485
Mol3377,CCc1nc(COc2ccccc2Br)no1,1.341236623
Mol3378,O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2ccccc21,-0.075720714
Mol3379,COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1,-0.602059991
Mol3380,CCn1cnnc1C1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1,1.540954809
Mol3381,O=C(c1ccco1)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,1.843544212
Mol3382,N#CCN(CN1C(=O)CC2(CCCC2)C1=O)C1CC1,1.585686278
Mol3383,N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1,1.628695383
Mol3384,N#Cc1cccc(NC(=O)C2CCC2)c1,1.528402438
Mol3385,N=C(NC(=O)OCc1ccccc1)c1ccc(CN)cc1,1.48586333
Mol3386,N#Cc1ccc(COc2ccccc2C#N)cc1,0.23299611
Mol3387,O=C1CCCc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21,-0.795880017
Mol3388,Cc1nc(C(=O)NC2CC2)ccc1C#N,1.558348509
Mol3389,O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1F,1.648750213
Mol3390,Cc1nnc(N2CCC(CNc3ccc(C#N)cn3)C2)c(C#N)c1C,0.911157609
Mol3391,CC(=O)NCc1ccc(-c2ccccc2C(=O)O)cc1,1.493597449
Mol3392,CC(C)(C)c1noc(COc2ccccc2C#N)n1,1.610873
Mol3393,O=C(Cc1csc(-c2ccc(F)c(F)c2)n1)NCC(F)(F)F,-0.443697499
Mol3394,Cc1ccnc(NC(=O)CN(C)c2ncnc3sc4c(c23)CCC(C)C4)c1,0.588831726
Mol3395,CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1F,-0.468521083
Mol3396,N#Cc1cnn(-c2nc(-c3ccc(Br)s3)cs2)c1N,0.278753601
Mol3397,c1cnn(-c2ccc(-c3ccc(NC4CC4)nn3)cc2)c1,-0.107905397
Mol3398,N#CCc1ccc(NC(=O)C2CC2)cc1,1.485011215
Mol3399,Cc1nnnn1CCCc1ccccc1,0.753583059
Mol3400,CC1(C)C(=O)N(Cc2ccc(CO)cc2)C(=O)c2ccccc21,1.438700533
Mol3401,Fc1cccc(Oc2nnnn2-c2ccccc2)c1,1.116275588
Mol3402,CCCc1n[nH]c2c1C(C1CC=CCC1)C(C#N)=C(N)O2,0.487138375
Mol3403,CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1,-0.180456064
Mol3404,CCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1,1.689885759
Mol3405,c1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1,-0.769551079
Mol3406,CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)NC(=O)N1,0.273001272
Mol3407,O=C(c1cc(Oc2cccc(F)c2)nc2ccccc12)N1CCOCC1,1.206556044
Mol3408,Cc1c(Nc2ccc3nccnc3n2)cnn1C,1.501333179
Mol3409,Cc1ccc2c(CC(=O)N(C)CC(N)=O)coc2c1C,1.542949849
Mol3410,O=C(NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12)c1cccs1,1.8162413
Mol3411,O=C(CCCNC(=O)NC1CCCCC1)Nc1cc(C2CC2)n[nH]1,1.641969598
Mol3412,Cn1cc(C(=O)O)c(-c2cccnc2)n1,1.610873
Mol3413,COc1cccc(/C=C2/N=C(c3ccccc3C)NC2=O)c1OC,-0.455931956
Mol3414,O=C(CN1C(=O)CCC1=O)Nc1ccc(F)c(F)c1F,1.698970004
Mol3415,Cc1cccc(Cl)c1-n1c(C)n[nH]c1=O,1.207634367
Mol3416,COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2,1.605089462
Mol3417,CC(C)CC(=O)Nc1ccc(Cl)c(C#N)c1,1.3818368
Mol3418,Cc1ccc(C)n1-c1ccc(CNS(C)(=O)=O)cc1,1.383815366
Mol3419,C=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1,-0.397940009
Mol3420,COc1ccc(Nc2nc3ccccc3c3nncn23)cc1,-0.853871964
Mol3421,Cc1noc2nc(-c3ccccc3F)cc(C(=O)O)c12,1.592287816
Mol3422,OC(CNCc1ccc(OCc2cccs2)cc1)c1ccccc1,1.63286204
Mol3423,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,1.773786445
Mol3424,COc1ccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)cc1OC,-0.568636236
Mol3425,COc1cccc(-c2ocnc2C(=O)Nc2ccc(-c3ccc(C)o3)cc2)c1,-0.397940009
Mol3426,Cc1nnc(-c2ccccc2-c2c[nH]nc2C)s1,1.490239485
Mol3427,NC(=O)c1sc2cc(F)ccc2c1Cl,-0.301029996
Mol3428,c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1,-1.0
Mol3429,Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-],1.476396827
Mol3430,CN(C)S(=O)(=O)Nc1ccc2sncc2c1,1.72916479
Mol3431,O=S(=O)(NCC1C2CC3CC(C2)CC1C3)C1CCOCC1,1.765072201
Mol3432,N#Cc1c(O)c(Cl)c(Cl)c(C#N)c1Cl,1.495544338
Mol3433,N#Cc1cc(-c2ccccc2)sc1N,0.477121255
Mol3434,CCC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12,1.72607487
Mol3435,COc1ccc(CN(C)C(=O)C2(C#N)CCC2)cc1,1.752662943
Mol3436,COc1nc(C#N)c(N2CCOCC2)o1,1.647480773
Mol3437,CNCC(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1,1.941014244
Mol3438,O=c1c(N2CCCC2)c(Cl)cnn1-c1ccccc1,1.233757363
Mol3439,c1ccc2[nH]c(C3CCNCC3)nc2c1,1.750354089
Mol3440,Cc1ccc(F)c(N(C#N)Cc2nnc(C)o2)c1,1.649140064
Mol3441,Cc1cc(NC(=O)CN(C)c2c(F)cccc2F)on1,1.84135947
Mol3442,NC(=O)Cc1nc(-c2ccc(Cl)cc2Cl)cs1,1.613313161
Mol3443,Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1,-0.698970004
Mol3444,COc1cc(OC)cc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1,-0.408935393
Mol3445,Cn1cc(-c2nc(C(=O)Nc3cccnc3-n3cncn3)cs2)cn1,0.282168778
Mol3446,CN(C)CCn1ccc2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21,1.728434951
Mol3447,CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccccc3OC)cc2)cc1,-0.366531544
Mol3448,CCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,-0.823908741
Mol3449,CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CCN(Cc2ccccc2O)CC1,-0.167491087
Mol3450,O=C(CCn1cc(Br)cn1)Nc1nc2ccccc2n1CCN1CCOCC1,1.626340367
Mol3451,Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1,-0.070581074
Mol3452,O=C(Nc1nc2ccccc2[nH]1)c1cccnc1,-0.698970004
Mol3453,Cn1c(NC(=O)C2CC2c2ccc(Cl)cc2)nc2ccccc21,-0.522878745
Mol3454,Cn1c(NC(=O)c2ccn(COc3ccccc3)n2)nc2ccccc21,0.763427994
Mol3455,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1,0.217483944
Mol3456,O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1,0.041392685
Mol3457,COc1ccc(-c2csc(CC(N)=O)n2)cc1Br,1.574609941
Mol3458,N#Cc1ccc(OCc2nnc(S)n2-c2ccccc2)cc1,1.659821158
Mol3459,CSCc1noc(COc2ccc(F)cc2F)n1,1.238046103
Mol3460,COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1,-0.13667714
Mol3461,CN(Cc1cnccn1)C(=O)c1cc(-c2ccc(F)cc2)on1,1.203848464
Mol3462,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,0.571126277
Mol3463,O=C(COc1ccc(F)cc1F)N1CCNC1=O,1.98686127
Mol3464,NC(=O)Cn1nnc(-c2ccccc2F)n1,1.062581984
Mol3465,O=C(Nc1ccc(Cl)cc1)C(=O)N(C1CCCC1)C1CC1,1.46834733
Mol3466,CC(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)C)ccc12,-0.327902142
Mol3467,COC(=O)Nc1nc2ccccc2[nH]1,0.90579588
Mol3468,N#CCCn1nc(C(F)(F)F)cc1O,1.36398783
Mol3469,COc1ccc(-c2ccccc2)c(NS(=O)(=O)c2cc(O)c(Cl)cc2Cl)c1,1.440279213
Mol3470,O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cc(COc2ccc(F)cc2)on1,1.214048679
Mol3471,CN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C,1.476396827
Mol3472,Cc1ccccc1N1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O,1.69818757
Mol3473,Cc1cc(NC(=O)c2ccc(Cl)cc2F)no1,0.84509804
Mol3474,COc1cc(C#N)ccc1Oc1nc2ccccc2o1,0.939519253
Mol3475,Cc1cc(C(=O)O)c2ccc(F)cc2n1,1.394451681
Mol3476,Cc1ccccc1N(CC(=O)O)S(C)(=O)=O,1.649918719
Mol3477,C#CCNC(=O)c1ccc(OC)c(OC)c1,1.42975228
Mol3478,Nc1ccc(N2C(=O)CCCC2=O)cc1,1.447158031
Mol3479,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1,1.803115555
Mol3480,CS(=O)(=O)NCCc1ccc2c(c1)OCCO2,1.50758604
Mol3481,CCN1C(=O)C(=O)N(Cc2sc3ccccc3c2Cl)C1=O,-0.522878745
Mol3482,O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)nc2ccccc12,-0.346787486
Mol3483,O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl,-0.259637311
Mol3484,CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O,-0.004364805
Mol3485,CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2,0.281033367
Mol3486,Cn1ncc2c(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncnc21,-0.886056648
Mol3487,Cc1cnc(NC(=O)Cc2coc3cc(C)c(C)cc23)s1,-0.494850022
Mol3488,N#CCn1c(C(=O)O)cc2ccccc21,1.618152733
Mol3489,NC(=O)Cn1nnc(-c2ccccc2)n1,1.041392685
Mol3490,C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21,-0.327902142
Mol3491,CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1,-0.677780705
Mol3492,COc1cc(OCc2ccccn2)ccc1/C=C/c1cc(/C=C/c2ccc3cc[nH]c3c2)[nH]n1,-0.214670165
Mol3493,Cc1cc(C)cc(C(=O)NCCCNc2ncccn2)c1,1.720448737
Mol3494,CCc1noc(COc2c(C)ccnc2Cl)n1,1.366982976
Mol3495,CC(C)(C)Cc1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1,0.600972896
Mol3496,Cc1nonc1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12,1.786751422
Mol3497,CN1CC(=O)N(CCOc2ccccc2)C1=O,1.36267093