clean_smiles stringlengths 18 103 | id stringlengths 14 14 | value float64 -72.94 187 ⌀ | scaffold stringlengths 0 100 |
|---|---|---|---|
CC(C)c1c(C(=O)N2CC3(CCN(C(=O)C4=CC5CCCC45)C3)C2)cnn1C | CP001002923747 | -22.83 | O=C(C1=CC2CCCC12)N1CCC2(C1)CN(C(=O)c1cn[nH]c1)C2 |
CC1(NC(=O)c2cccc(-n3cncn3)n2)CCN(CCCC2CCOCC2)C1 | CP000197076584 | -32.69 | O=C(NC1CCN(CCCC2CCOCC2)C1)c1cccc(-n2cncn2)n1 |
Nc1ncnc(N2CCCC[C@H](NC(=O)c3ccc4cnccc4n3)C2)n1 | CP001450151792 | -26.42 | O=C(N[C@H]1CCCCN(c2ncncn2)C1)c1ccc2cnccc2n1 |
CN(C(=O)c1ccc2c(c1)CCC=C2)C1CN(C(=O)[C@H]2CCCO2)C1 | CP003230444316 | -26.48 | O=C(NC1CN(C(=O)[C@H]2CCCO2)C1)c1ccc2c(c1)CCC=C2 |
CCOC(C(=O)N1CCC(NC(=O)c2ccc(C3(C)CCO3)cc2)C1)C1CC1 | CP001240700785 | -25.79 | O=C(NC1CCN(C(=O)CC2CC2)C1)c1ccc(C2CCO2)cc1 |
Cc1cc(=O)c(C(=O)NCC2COC(CNc3nccc(CC#N)n3)C2)c[nH]1 | CP000488542393 | -30.42 | O=C(NCC1COC(CNc2ncccn2)C1)c1c[nH]ccc1=O |
Cc1cc(C(C)C)nc(NCC2CC(CNC(=O)c3cn(C)ccc3=O)CO2)n1 | CP000127731761 | -24.47 | O=C(NCC1COC(CNc2ncccn2)C1)c1c[nH]ccc1=O |
CCc1nonc1C(=O)NC[C@H](C)NC(=O)C1(C)CCC(=O)NC1 | CP003442730613 | -19.31 | O=C1CCC(C(=O)NCCNC(=O)c2cnon2)CN1 |
C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCN1C(=O)C1CC=CC1 | CP003196048173 | -23.68 | O=C1NC[C@@H](C(=O)N2CCN(C(=O)C3CC=CC3)CC2)N1 |
Cc1ccc(C(=O)NCCC2CCN(c3nc4c(cc3C#N)CCC(C)C4)C2)o1 | CP000333923209 | -31.63 | O=C(NCCC1CCN(c2ccc3c(n2)CCCC3)C1)c1ccco1 |
CCc1cc(NCC(NC(=O)c2cccn(C3CC3)c2=O)C2CC2)nc(CC)n1 | CP000300654421 | -33.71 | O=C(NC(CNc1ccncn1)C1CC1)c1cccn(C2CC2)c1=O |
O=C(NC(CNc1ccncn1)C1CC1)c1cccn(C2CC2)c1=O | CP002397744788 | -25.35 | O=C(NC(CNc1ccncn1)C1CC1)c1cccn(C2CC2)c1=O |
CN1CCCCC(C(=O)NC[C@H]2CCN(C(=O)C=CC3CC3)C2)C1=O | CP003049472498 | -24.34 | O=C1NCCCCC1C(=O)NC[C@H]1CCN(C(=O)C=CC2CC2)C1 |
CC1CC(=O)CN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1 | CP001314157248 | -24.03 | O=C1CCCN(S(=O)(=O)c2ccc3[nH]ccc3c2)C1 |
C[C@@H](NC(=O)Cc1ccc(=O)[nH]c1)C1CN(C(=O)c2cn3cccnc3n2)C1 | CP000791934086 | -27.8 | O=C(Cc1ccc(=O)[nH]c1)NCC1CN(C(=O)c2cn3cccnc3n2)C1 |
C[C@@H](CCNC(=O)c1cc2c(=O)[nH]ccn2n1)NC(=O)c1ccnn1C1CCC1 | CP000052382504 | -28.32 | O=C(NCCCNC(=O)c1ccnn1C1CCC1)c1cc2c(=O)[nH]ccn2n1 |
CC1=NC(C(=O)N2CCC(COC3CCN(C(=O)C4(C)CC4)C3)CC2)CS1 | CP001615944028 | -21.66 | O=C(C1CC1)N1CCC(OCC2CCN(C(=O)C3CSC=N3)CC2)C1 |
Cc1[nH]nc(C(=O)NC2(C)CCCN(C(=O)C(C3CC3)C3CCCO3)C2)c1C | CP000994634275 | -24.98 | O=C(NC1CCCN(C(=O)C(C2CC2)C2CCCO2)C1)c1cc[nH]n1 |
CC(F)(F)C1(NC(=O)Nc2ccn(C3CCNC3=O)n2)CC1 | CP002175480911 | -25.61 | O=C(Nc1ccn(C2CCNC2=O)n1)NC1CC1 |
CC(C(=O)N(C)C1CN(C(=O)C(O)C2CCCCCC2)C1)c1ccc(C#N)cc1 | CP000183908287 | -31.35 | O=C(Cc1ccccc1)NC1CN(C(=O)CC2CCCCCC2)C1 |
CC(=O)NC(C(=O)NC1CN(C(=O)CC2CCCCCC2)C1)c1ccccc1 | CP001262383824 | -26.73 | O=C(Cc1ccccc1)NC1CN(C(=O)CC2CCCCCC2)C1 |
Nc1cccc(CC(=O)NC2CN(C(=O)C(O)C3CCCCCC3)C2)c1 | CP003003823132 | -24.7 | O=C(Cc1ccccc1)NC1CN(C(=O)CC2CCCCCC2)C1 |
CC1(NC(=O)Cc2c(F)cccc2F)CN(C(=O)CC2CCCCCC2)C1 | CP002028539054 | -23.68 | O=C(Cc1ccccc1)NC1CN(C(=O)CC2CCCCCC2)C1 |
CC(O)(C(=O)NC1CN(C(=O)C(O)C2CCCCCC2)C1)c1ccc(F)cc1 | CP001263927952 | -20.31 | O=C(Cc1ccccc1)NC1CN(C(=O)CC2CCCCCC2)C1 |
CNC(=O)c1cc(C)nc(NCc2ccccc2N2CCOCC2)n1 | CP000398050090 | -26.22 | c1cnc(NCc2ccccc2N2CCOCC2)nc1 |
CC1=NOC(C(=O)NC2CN(C(=O)C3(C)CC(C4CC4)=NO3)C2)C1 | CP001899915716 | -21.22 | O=C(NC1CN(C(=O)C2CC(C3CC3)=NO2)C1)C1CC=NO1 |
C=CCC1(C(=O)N2CCC(CCNC(=O)c3ncnn3C(C)C)C2)CC=CC1 | CP001100298967 | -23 | O=C(NCCC1CCN(C(=O)C2CC=CC2)C1)c1ncn[nH]1 |
O=C(NCCNc1ncnc2c1CCC2)C1CCCC2CC21 | CP003468193619 | -29.05 | O=C(NCCNc1ncnc2c1CCC2)C1CCCC2CC21 |
Cc1cccc(CC(=O)N2CC(CNC(=O)C#CC3CCC(=O)CC3)C2)c1 | CP002448839676 | -28.45 | O=C1CCC(C#CC(=O)NCC2CN(C(=O)Cc3ccccc3)C2)CC1 |
CCn1cnnc1C(=O)N1CCC[C@H](CNC(=O)CN(C)c2ccccc2)C1 | CP000839981285 | -27.82 | O=C(CNc1ccccc1)NC[C@H]1CCCN(C(=O)c2nnc[nH]2)C1 |
CCC1(C(=O)NC2CC3(CCN(C(=O)C4CC5(CCC5)CO4)CC3)C2)CC1 | CP002026708904 | -19.62 | O=C(NC1CC2(CCN(C(=O)C3CC4(CCC4)CO3)CC2)C1)C1CC1 |
Cc1cc(C)nc(C(=O)NCC2C3CN(c4cc(-n5ccnc5)ncn4)CC23)c1 | CP000234927678 | -31.91 | O=C(NCC1C2CN(c3cc(-n4ccnc4)ncn3)CC12)c1ccccn1 |
Cc1ccnc(C(=O)NCC2C3CN(c4cc(-n5ccnc5)ncn4)CC23)c1 | CP000415911045 | -30.66 | O=C(NCC1C2CN(c3cc(-n4ccnc4)ncn3)CC12)c1ccccn1 |
Cn1ccc(CCC(=O)NCC2CN(c3nncs3)CCCO2)n1 | CP002922231877 | -22.62 | O=C(CCc1cc[nH]n1)NCC1CN(c2nncs2)CCCO1 |
Nc1ccnc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(Cn4ccnn4)o3)C2)c1 | CP000110459831 | -25.19 | O=C(N[C@H]1C[C@@H](CNC(=O)c2ccc(Cn3ccnn3)o2)C1)c1ccccn1 |
CCN1CCC1C(=O)N(C)C1CN(C(=O)Cn2nc3c(n2)CCCC3)C1 | CP002771199403 | -37.92 | O=C(NC1CN(C(=O)Cn2nc3c(n2)CCCC3)C1)C1CCN1 |
CC1=C(C(=O)N2CC([C@@H](C)NC(=O)CC3COCCO3)C2)CCC1 | CP003393046358 | -23.5 | O=C(CC1COCCO1)NCC1CN(C(=O)C2=CCCC2)C1 |
Cc1cc(C)c(C(=O)NCC(NC(=O)CCc2cscn2)C(C)C)c(=O)o1 | CP002091414620 | -26.29 | O=C(CCc1cscn1)NCCNC(=O)c1cccoc1=O |
COC(C(=O)N1CCC(CCNC(=O)c2ccc3c(c2)NCC3)C1)C1CCCC1 | CP000267373886 | -29.62 | O=C(NCCC1CCN(C(=O)CC2CCCC2)C1)c1ccc2c(c1)NCC2 |
CC1CCN(C(=O)C2CCCOC2)CC1CNC(=O)c1ccnc2ccccc12 | CP000081485306 | -27.76 | O=C(NCC1CCCN(C(=O)C2CCCOC2)C1)c1ccnc2ccccc12 |
O=C(NCCN1CCN(Cc2cn(-c3ccccc3)nn2)CC1)c1cocn1 | CP000497635780 | -33.29 | O=C(NCCN1CCN(Cc2cn(-c3ccccc3)nn2)CC1)c1cocn1 |
CNC(=O)c1ccc(C(=O)N2CC3CCCC(C2)N3Cc2ncccc2C)cn1 | CP000196525902 | -29.75 | O=C(c1cccnc1)N1CC2CCCC(C1)N2Cc1ccccn1 |
COc1cccc(CN2C3CCCC2CN(C(=O)c2cccnc2N(C)C)C3)n1 | CP000196511756 | -24.28 | O=C(c1cccnc1)N1CC2CCCC(C1)N2Cc1ccccn1 |
O=C(c1ccccc1-n1cccc1)N1CCN2C(=O)OCC2C1 | CP001544643644 | -23.9 | O=C(c1ccccc1-n1cccc1)N1CCN2C(=O)OCC2C1 |
Cn1cnc(NCC2CCCCN2C(=O)C#CC2(C)CCCO2)cc1=O | CP002044471975 | -21.4 | O=C(C#CC1CCCO1)N1CCCCC1CNc1cc(=O)[nH]cn1 |
CC1(C(=O)N2CC3CC(C2)N(C(=O)CC2COC(=O)C2)C3)CCCCC1 | CP002519468316 | null | O=C1CC(CC(=O)N2CC3CC2CN(C(=O)C2CCCCC2)C3)CO1 |
O=C1CCCCC(C(=O)NC2CC(CNC(=O)c3n[nH]c4c3CCC4)C2)C1 | CP002320430854 | -34.18 | O=C1CCCCC(C(=O)NC2CC(CNC(=O)c3n[nH]c4c3CCC4)C2)C1 |
CN(CCOCCNC(=O)c1cnccc1O)C(=O)c1cccc2ncn(C)c12 | CP000100966616 | -33.21 | O=C(NCCOCCNC(=O)c1cccc2nc[nH]c12)c1cccnc1 |
CN(CCOCCNC(=O)c1cccc2ncn(C)c12)C(=O)c1cncc(N)c1 | CP000100804537 | -25.2 | O=C(NCCOCCNC(=O)c1cccc2nc[nH]c12)c1cccnc1 |
CCc1cc(NC2CCN(C(=O)C3CCCCCC3)CC2C)nc(C)n1 | CP002056246695 | -43.95 | O=C(C1CCCCCC1)N1CCC(Nc2ccncn2)CC1 |
Cc1ncnc(NC2CCN(C(=O)C3CCCC(F)(F)CC3)CC2)c1F | CP001521031076 | -36.05 | O=C(C1CCCCCC1)N1CCC(Nc2ccncn2)CC1 |
CN(c1cc(Cl)ncn1)C1CCN(C(=O)C2(O)CCCCCC2)CC1 | CP002452892548 | -24.68 | O=C(C1CCCCCC1)N1CCC(Nc2ccncn2)CC1 |
CCc1ncnc(N(C)C2CCN(C(=O)C3CCCC(F)(F)CC3)CC2)c1F | CP000438866217 | -24.62 | O=C(C1CCCCCC1)N1CCC(Nc2ccncn2)CC1 |
COc1cc(NC2CCN(C(=O)C3CCCC(F)(F)CC3)CC2)ncn1 | CP001521031094 | -24.02 | O=C(C1CCCCCC1)N1CCC(Nc2ccncn2)CC1 |
CCOc1cc(NC2CCN(C(=O)C3(O)CCCCCC3)CC2C)nc(C)n1 | CP000462845210 | -23.85 | O=C(C1CCCCCC1)N1CCC(Nc2ccncn2)CC1 |
COCc1nc(O)cc(NC2CCN(C(=O)C3(O)CCCC(C)CC3)CC2)n1 | CP000483367942 | -15.23 | O=C(C1CCCCCC1)N1CCC(Nc2ccncn2)CC1 |
O=C(C1CCCCO1)N1CCOC2(C1)CN(C(=O)C1(Cc3ccccc3)CC1)C2 | CP000220602104 | -27.03 | O=C(C1CCCCO1)N1CCOC2(C1)CN(C(=O)C1(Cc3ccccc3)CC1)C2 |
O=C(NCC1CCCC1NC(=O)c1cccc2ccsc12)c1ccccn1 | CP002095758437 | -29.49 | O=C(NCC1CCCC1NC(=O)c1cccc2ccsc12)c1ccccn1 |
O=C(C1CCCC1)N1CCO[C@]2(CC[C@H](NC(=O)C3(F)CCCCC3)CC2)C1 | CP000751424345 | -23.74 | O=C(N[C@H]1CC[C@]2(CC1)CN(C(=O)C1CCCC1)CCO2)C1CCCCC1 |
O=C(NC(CNC(=O)C1CCCCC1C1CC1)C1CCCC1)C1CCC=CO1 | CP000697088699 | -26.52 | O=C(NC(CNC(=O)C1CCCCC1C1CC1)C1CCCC1)C1CCC=CO1 |
CC(C)c1nc(C(=O)N2CCCC2CCCNC(=O)C2=CCCOCC2)c[nH]1 | CP001061129436 | -27.96 | O=C(NCCCC1CCCN1C(=O)c1c[nH]cn1)C1=CCCOCC1 |
O=C1OCc2ccc(NCc3c(Cl)cccc3N3CCOCC3)cc21 | CP001164559804 | -26.52 | O=C1OCc2ccc(NCc3ccccc3N3CCOCC3)cc21 |
CN(C)CCC1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 | CP000411139750 | -52.62 | O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCCCC1 |
CC1(C)CCCN(C(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 | CP001569004866 | -37.79 | O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCCCC1 |
CC1(CN)CCN(C(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 | CP001516573329 | -37.66 | O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCCCC1 |
O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCCC(O)(C(F)F)C1 | CP001284932971 | -30.9 | O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCCCC1 |
CNc1cncc(C(=O)NC2CCC(NC(=O)C(C)(C)n3cnnn3)CC2)c1 | CP001236113557 | -23.17 | O=C(Cn1cnnn1)NC1CCC(NC(=O)c2cccnc2)CC1 |
Cc1ccncc1C(=O)N(C)C1CCC(NC(=O)Cn2nnnc2C)CC1 | CP001981400767 | -22.73 | O=C(Cn1cnnn1)NC1CCC(NC(=O)c2cccnc2)CC1 |
C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)COC2CCCCC2)C1 | CP003154326267 | -22.13 | C=C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)COC2CCCCC2)C1 |
CC1CN(C(=O)C2CC(C3CCOCC3)=NO2)CCN1C(=O)Cn1cnnn1 | CP000677797144 | -21.48 | O=C(Cn1cnnn1)N1CCN(C(=O)C2CC(C3CCOCC3)=NO2)CC1 |
C[C@@H](CCNC(=O)c1cc(F)cc2ccncc12)NC(=O)c1cccn(C)c1=O | CP000052267319 | -25.56 | O=C(NCCCNC(=O)c1cccc2ccncc12)c1ccc[nH]c1=O |
CC1(NC(=O)Cn2cc(CO)nn2)CN(C(=O)C23CC2C3)C1 | CP003189285020 | -17.42 | O=C(Cn1ccnn1)NC1CN(C(=O)C23CC2C3)C1 |
O=C(C=CC1CC1)NCCCOCCNC(=O)C1CCOC2(CCC2)C1 | CP002528164152 | -13.95 | O=C(C=CC1CC1)NCCCOCCNC(=O)C1CCOC2(CCC2)C1 |
CCN1C(=O)CCC1C(=O)NCC1CN(C(=O)C(C)N2CCC2)CCC1(C)C | CP000820848483 | -27.5 | O=C1CCC(C(=O)NCC2CCCN(C(=O)CN3CCC3)C2)N1 |
CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3csnn3)C2)CC1 | CP003477072208 | -29.07 | O=C(N[C@@H]1CCN(Cc2csnn2)C1)C1CCCCC1 |
CC1CCCCC1C(=O)N[C@@H]1CCN(Cc2nnsc2Cl)C1 | CP003477104787 | -27.63 | O=C(N[C@@H]1CCN(Cc2csnn2)C1)C1CCCCC1 |
C=CCC1(C(=O)N[C@@H]2CCN(Cc3nnsc3Cl)C2)CCCCC1 | CP003130262231 | -25.1 | O=C(N[C@@H]1CCN(Cc2csnn2)C1)C1CCCCC1 |
Cc1csc(CN2C3CCC2CC(NC(=O)c2ccc(F)c(C)c2)C3)n1 | CP001736537714 | -29.57 | O=C(NC1CC2CCC(C1)N2Cc1nccs1)c1ccccc1 |
CCc1c(C(=O)NCC(C)CNC(=O)CC2C=CCC2)ccn1C | CP003432812922 | -27.78 | O=C(CC1C=CCC1)NCCCNC(=O)c1cc[nH]c1 |
Cc1c[nH]cc1C(=O)N(C)CC(O)CN(C)C(=O)CC1C=CCC1 | CP003376258645 | -23.01 | O=C(CC1C=CCC1)NCCCNC(=O)c1cc[nH]c1 |
Cc1c[nH]cc1C(=O)N(C)CC(C)CNC(=O)CC1C=CCC1 | CP003504419954 | -22.61 | O=C(CC1C=CCC1)NCCCNC(=O)c1cc[nH]c1 |
Cc1cc(C(=O)N(C)C(C)CCNC(=O)CC2C=CCC2)c[nH]1 | CP003514897305 | -21.39 | O=C(CC1C=CCC1)NCCCNC(=O)c1cc[nH]c1 |
Cc1cc(N2CC=CC(NC(=O)c3cc4ccccn4c3)C2)nc(C2CC2)n1 | CP000435523614 | -41.27 | O=C(NC1C=CCN(c2ccnc(C3CC3)n2)C1)c1cc2ccccn2c1 |
CC(CNC(=O)c1ccn2ccnc2c1)NC(=O)c1ccc(-n2cccn2)cc1 | CP000363974746 | -33.33 | O=C(NCCNC(=O)c1ccn2ccnc2c1)c1ccc(-n2cccn2)cc1 |
CC1=CCC(C(=O)NCC(C)CNC(=O)c2cnc(CC3CC3)[nH]c2=O)CC1 | CP001032583664 | -31.14 | O=C(NCCCNC(=O)C1CC=CCC1)c1cnc(CC2CC2)[nH]c1=O |
CC1CN(C(=O)Cc2ccc(Cl)s2)CC(C)N(C(=O)[C@@H]2CNC(=O)N2)C1 | CP002514060673 | -26.28 | O=C1NC[C@@H](C(=O)N2CCCN(C(=O)Cc3cccs3)CC2)N1 |
O=C(O)C(CNCc1cnn(C2CCCCC2)c1)Cc1cccnc1 | CP001566281712 | -22.67 | c1cncc(CCCNCc2cnn(C3CCCCC3)c2)c1 |
COC12CCC(c3cn(C4CN(C(=O)C5C(F)(F)C56CCC6)C4)nn3)(CC1)C2 | CP001114764911 | -23.02 | O=C(C1CC12CCC2)N1CC(n2cc(C34CCC(CC3)C4)nn2)C1 |
CC(=O)NC1CCN(C(=O)c2cn(CC3CN(C(=O)OC(C)(C)C)C3)nn2)C1 | CP000386019874 | -22.68 | O=C(c1cn(CC2CNC2)nn1)N1CCCC1 |
C[C@H](NC(=O)Cn1nnc2c1CCCC2)C1CCN(C2CCNC2=O)CC1 | CP001585334522 | -31.21 | O=C(Cn1nnc2c1CCCC2)NCC1CCN(C2CCNC2=O)CC1 |
CCCn1ccc(C(=O)NCCCCCCN(C)C(=O)Cc2cnns2)n1 | CP001614089785 | -26.72 | O=C(Cc1cnns1)NCCCCCCNC(=O)c1cc[nH]n1 |
Cn1cccc1CC(=O)NCCC1CCN(C(=O)C2(C(F)F)CC2)C1 | CP003085632512 | -22.34 | O=C(Cc1ccc[nH]1)NCCC1CCN(C(=O)C2CC2)C1 |
O=C(NCCCN(C(=O)c1csc(Cl)c1)C1CC1)C1CC12CCC2 | CP003445912308 | -26.38 | O=C(NCCCN(C(=O)c1ccsc1)C1CC1)C1CC12CCC2 |
CC1CCCN(C(=O)C2CC3(CC(O)C3)C2)C1CCNC(=O)C=CC1CC1 | CP001611902186 | -21.41 | O=C(C=CC1CC1)NCCC1CCCCN1C(=O)C1CC2(CCC2)C1 |
CCCN(CCNC(=O)c1cn(CC2CC2)nn1)C(=O)c1cnccn1 | CP002885907597 | -26.69 | O=C(NCCNC(=O)c1cn(CC2CC2)nn1)c1cnccn1 |
CSc1nccnc1C(=O)N(C)CC(C)NC(=O)c1cn(CC2CC2)nn1 | CP002192868927 | -23.63 | O=C(NCCNC(=O)c1cn(CC2CC2)nn1)c1cnccn1 |
CC(C)Oc1cnc(C(=O)NC[C@H](C)NC(=O)c2cn(CC3CC3)nn2)cn1 | CP001203474750 | -21.37 | O=C(NCCNC(=O)c1cn(CC2CC2)nn1)c1cnccn1 |
CC(c1cnccn1)c1noc(-c2cc(=O)c3ccc(Cl)cc3o2)n1 | CP001165858789 | -32.62 | O=c1cc(-c2nc(Cc3cnccn3)no2)oc2ccccc12 |
Cn1nnnc1N1CCC2(CC1)CN(C(=O)c1ccc3c(c1)COC3)CCO2 | CP000413131056 | -18.95 | O=C(c1ccc2c(c1)COC2)N1CCOC2(CCN(c3nnn[nH]3)CC2)C1 |
CN(CCN(C)C(=O)c1cccc2cc(F)ccc12)C(=O)COC1CCOC1 | CP000692895509 | -18.56 | O=C(COC1CCOC1)NCCNC(=O)c1cccc2ccccc12 |
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