| SMILES,Ki |
| Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,-1.3010299956639813 |
| Cc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nn2n1,-1.3010299956639813 |
| Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nn2n1,-1.0 |
| Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c(-c3ccc(F)cc3)nn2n1,-1.0 |
| Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nn2n1,-1.6989700043360187 |
| c1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1,-4.278753600952829 |
| Fc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1F,-4.361727836017593 |
| COCCOc1cnn2ncc(-c3ccnc(Nc4cccc(OC)c4)n3)c2c1,-1.9030899869919435 |
| Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccccc3)nn2n1,-1.4771212547196624 |
| Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3ccccc3)nn2n1,-2.0 |
| Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c(-c3ccccc3)nn2n1,-1.4771212547196624 |
| Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,-2.8976270912904414 |
| Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,-3.198657086954422 |
| Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,-2.7993405494535817 |
| Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1,-2.1760912590556813 |
| Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccc(F)cc3)nn2n1,-1.3010299956639813 |
| c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,-1.1613680022349748 |
| CN(c1ccccc1)c1nccc(-c2cnn3ncccc23)n1,-4.298853076409706 |
| Cc1ccccc1Nc1nccc(-c2cnn3ncccc23)n1,-3.778151250383644 |
| COc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1,-1.0 |
| CC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,-1.4771212547196624 |
| CCC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,-2.0791812460476247 |
| CC(C)(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1,-1.6989700043360187 |
| COc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1OC,-1.0417873189717517 |
| Fc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1F,-1.0 |
| Clc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1Cl,-1.0 |
| COc1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(OC)c1,-1.0 |
| Oc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,-1.0 |
| COc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,-1.6989700043360187 |
| CCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,-2.278753600952829 |
| CCCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1,-2.8976270912904414 |
| COc1cccc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)c1,-2.0 |
| COc1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)F)c4)n3)cnn2n1,-1.6989700043360187 |
| COc1ccc2c(-c3ccnc(Nc4ccc(C#N)cc4)n3)cnn2n1,-1.6989700043360187 |
| COc1ccc2c(-c3ccnc(Nc4ccc([N+](=O)[O-])cc4)n3)cnn2n1,-1.845098040014257 |
| COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(OC)c1,-2.0791812460476247 |
| COc1cc(Nc2nccc(-c3cnn4nc(OC)ccc34)n2)cc(C(F)(F)F)c1,-2.278753600952829 |
| CCOc1ccc2c(-c3ccnc(Nc4cc(OC)cc(C(F)(F)F)c4)n3)cnn2n1,-3.499687082618404 |
| COc1ccc2c(-c3ccnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)cnn2n1,-2.7993405494535817 |
| COc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1,-1.4771212547196624 |
| Cc1ccc2c(-c3ccnc(Nc4ccc(C(F)(F)F)cc4)n3)cnn2n1,-1.6989700043360187 |
| COc1cc(Nc2nccc(-c3cnn4nc(C)ccc34)n2)cc(C(F)(F)F)c1,-1.0 |
| Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1,-1.0 |
| FC(F)(F)c1cccc(Nc2nccc(-c3cnn4nc(-c5ccccc5)ccc34)n2)c1,-2.1760912590556813 |
| c1ccc(-c2ccc3c(-c4ccnc(Nc5ccc6c(c5)OCCO6)n4)cnn3n2)cc1,-2.0791812460476247 |
| c1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1,-1.0 |
| FC(F)(F)c1cccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1,-1.0 |
| Fc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1F,-1.0 |
| Fc1cc(F)cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1,-1.0 |
| FC(F)(F)c1cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)ccc1Cl,-1.3010299956639813 |
| Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1,-1.3010299956639813 |
| Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1,-1.3010299956639813 |
| Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1,-1.3010299956639813 |
| Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1,-1.6020599913279625 |
| Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1,-1.0 |
| COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1,-3.699837725867246 |
| COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1,-4.4996870826184034 |
| COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1,-3.899820502427096 |
| COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1,-4.491361693834273 |
| COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1,-3.699837725867246 |
| FC(F)(F)c1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)c1,-2.1760912590556813 |
| Fc1ccc(Nc2nccc(-c3c(-c4cccc(C(F)(F)F)c4)nn4ncccc34)n2)cc1F,-2.4913616938342726 |
| FC(F)(F)c1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)c1,-1.6989700043360187 |
| FC(F)(F)c1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1,-3.0 |
| Clc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1,-3.096910013008056 |
| FC(F)(F)c1cccc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)c1,-3.399673721481038 |
| Fc1ccc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)cc1F,-3.0 |
| FC(F)(F)c1cc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)nn4ncccc34)n2)ccc1Cl,-3.5998830720736876 |
| Clc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1,-2.8976270912904414 |
| Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccccc3)nn2n1,-1.6989700043360187 |
| Cc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)c(-c3ccccc3)nn2n1,-1.6020599913279625 |
| COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,-3.903089986991944 |
| COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,-1.527715806218647 |
| Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1,-1.3424226808222062 |
| CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1,-3.0145205387579237 |
| O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1,-2.361727836017593 |
| FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCNCC4)nn23)c1,-3.462397997898956 |
| O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1,1.0457574905606752 |
| Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1,-1.863322860120456 |
| Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1,-1.380211241711606 |
| Cc1cc(Nc2nc(N(C)c3ccccc3)nc3ccccc23)n[nH]1,-2.494154594018443 |
| Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)n[nH]1,-1.7075701760979365 |
| Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)n[nH]1,-2.2329961103921536 |
| Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)n[nH]1,-2.100370545117563 |
| Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)n[nH]1,-1.5185139398778875 |
| Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)n[nH]1,-1.6434526764861874 |
| Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)n[nH]1,-1.6812412373755872 |
| Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)n[nH]1,-0.9030899869919436 |
| Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)n[nH]1,-2.05307844348342 |
| COc1ccccc1Sc1nc(Nc2cc(C)[nH]n2)c2ccccc2n1,-2.3344537511509307 |
| COc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1,-2.093421685162235 |
| COc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1OC,-3.0674428427763805 |
| Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)n[nH]1,-1.8260748027008264 |
| CC(=O)N(C)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1,-1.230448921378274 |
| CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1,-3.1760912590556813 |
| Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)n[nH]1,-3.118595365223762 |
| CC(=O)Nc1ccc(Sc2nc(Nc3cc[nH]n3)c3ccccc3n2)cc1,-2.781755374652469 |
| CC(=O)Nc1ccc(Sc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1,-2.5289167002776547 |
| COc1cc2c(C)cc3c(c2cc1OC)C(=O)NC3=O,-2.413299764081252 |
| O=C1NN=C(c2cccnc2)/C1=N/Nc1ccccc1Cl,-2.3010299956639813 |
| O=C1NN=C(c2ccncc2)/C1=N/Nc1ccccc1Cl,-2.3979400086720375 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccccc2Cl)c1,-2.929418925714293 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2ccccc2Cl)cc1OC,-1.6434526764861874 |
| O=C1NN=C(c2ccccc2)/C1=N/Nc1ccccc1,-1.99563519459755 |
| O=C1NN=C(c2ccccc2)/C1=N/Nc1cccc(Cl)c1,-2.0791812460476247 |
| O=C1NN=C(c2ccccc2)/C1=N/Nc1ccc(Cl)cc1,-1.3617278360175928 |
| COc1cccc(N/N=C2\C(=O)NN=C2c2ccccc2)c1,-1.5440680443502757 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2ccccc2)cc1,-1.3010299956639813 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2ccccn2)cc1,-2.806179973983887 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2cccnc2)cc1,-1.3010299956639813 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2ccncc2)cc1,-1.4771212547196624 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2cccc(OC)c2)cc1,-1.255272505103306 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2ccc(OC)cc2)cc1,-0.3010299956639812 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2cc(OC)c(OC)c(OC)c2)cc1,-0.9542425094393248 |
| COc1ccc(N/N=C2\C(=O)NN=C2c2cnccc2OC)cc1,-0.3010299956639812 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccccc2)c1,-1.591064607026499 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)c1,-0.9030899869919436 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(Cl)cc2)c1,-0.9542425094393248 |
| COc1cccc(N/N=C2\C(=O)NN=C2c2cccc(OC)c2)c1,-0.6989700043360189 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(C#N)cc2)c1,-0.6020599913279624 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccccn2)c1,-0.9030899869919436 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2cccnc2)c1,-1.4771212547196624 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccncc2)c1,-1.3617278360175928 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(C(=O)O)cc2)c1,-0.8129133566428556 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)c1,-0.9542425094393248 |
| COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(N3CCOCC3)cc2)c1,-1.7708520116421442 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)cc1,-0.2787536009528289 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(Cl)cc2)cc1,-0.3010299956639812 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(OC)c2)cc1,0.0969100130080563 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2cccnc2)cc1,-0.3010299956639812 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2ccncc2)cc1,-1.146128035678238 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)cc1,-2.041392685158225 |
| CCN(CC)c1ccc(N/N=C2\C(=O)NN=C2c2ccc(OC)cc2)cc1,-1.2041199826559248 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N3CCOCC3)cc2)cc1,-0.9030899869919436 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)cc1OC,0.3979400086720376 |
| COc1cccc(N/N=C2\C(=O)NN=C2c2ccc(OC)c(OC)c2)c1,0.3979400086720376 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)cc1OC,-1.9395192526186185 |
| CCN(CC)c1ccc(N/N=C2\C(=O)NN=C2c2ccc(OC)c(OC)c2)cc1,-0.3010299956639812 |
| COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N3CCOCC3)cc2)cc1OC,-0.4771212547196624 |
| COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccccc1,-0.6532125137753437 |
| COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(Cl)cc1,-0.4771212547196624 |
| COc1ccccc1N/N=C1\C(=O)NN=C1c1cnccc1OC,-2.4313637641589874 |
| COc1cccc(N/N=C2\C(=O)NN=C2c2cnccc2OC)c1,-0.568201724066995 |
| COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(C#N)cc1,-0.919078092376074 |
| COc1ccncc1C1=NNC(=O)/C1=N\Nc1cccnc1,-1.3617278360175928 |
| COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccncc1,-1.2041199826559248 |
| COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(C(=O)O)cc1,-0.8864907251724818 |
| COc1ccncc1C1=NNC(=O)/C1=N\Nc1ccc(N2CCOCC2)cc1,-1.6989700043360187 |
| O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1,-1.380211241711606 |
| O=C1NN=C/C1=N/Nc1ccccc1Cl,-3.173186268412274 |
| CC1=NNC(=O)/C1=N\Nc1ccccc1Cl,-2.6627578316815743 |
| O=C1NN=C(c2ccccc2)/C1=N/Nc1ccccc1Cl,-2.8573324964312685 |
| O=C1NN=C(c2ccccn2)/C1=N/Nc1ccccc1Cl,-2.8129133566428557 |
| Cn1c(-c2nonc2N)nc2ccccc21,-3.863322860120456 |
| CCn1c(-c2nonc2N)nc2ccccc21,-2.845098040014257 |
| CC(C)n1c(-c2nonc2N)nc2ccccc21,-3.1760912590556813 |
| Nc1nonc1-c1nc2ccccc2n1C1CCC1,-2.57978359661681 |
| Nc1nonc1-c1nc2ccccc2n1C1CCCC1,-2.322219294733919 |
| Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,-2.380211241711606 |
| Nc1nonc1-c1nc2ccccc2n1CC1CC1,-2.462397997898956 |
| Nc1nonc1-c1nc2ccccc2n1CC1CCC1,-2.838849090737255 |
| CC(C)Cn1c(-c2nonc2N)nc2ccccc21,-2.591064607026499 |
| Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,-2.792391689498254 |
| N#Cc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1,-3.0 |
| Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1,-3.041392685158225 |
| Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,-3.322219294733919 |
| COc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,-2.6627578316815743 |
| Cc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,-3.505149978319906 |
| Cc1cn(CC(C)C)c(-c2nonc2N)n1,-2.838849090737255 |
| CCCc1cn(-c2ccc3[nH]ncc3c2)nn1,-3.3066394410242617 |
| OCCCc1cn(-c2ccc3[nH]ncc3c2)nn1,-3.717337582723864 |
| c1cc2[nH]ncc2cc1-n1cc(C2CC2)nn1,-3.539828558377898 |
| c1cc2[nH]ncc2cc1-n1cc(C2CCCC2)nn1,-3.1132746924643504 |
| c1cc2[nH]ncc2cc1-n1cc(CC2CCCCC2)nn1,-2.949877704036875 |
| c1ccc(Cc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1,-2.733999286538387 |
| c1ccc(CCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1,-2.649334858712142 |
| c1ccc(CCCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1,-2.722633922533812 |
| c1cc2[nH]ncc2cc1-c1c[nH]nn1,-2.651278013998144 |
| Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12,-2.423245873936808 |
| Clc1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1,-1.6532125137753435 |
| Clc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1,-1.3617278360175928 |
| Clc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1,-2.294466226161593 |
| Fc1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1,-1.9590413923210936 |
| Fc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1,-1.414973347970818 |
| Fc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1,-1.845098040014257 |
| Cc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1,-1.845098040014257 |
| Clc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1Cl,-1.6812412373755872 |
| Clc1ccc(Cl)c(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1,-1.2041199826559248 |
| Clc1cc(Cl)cc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1,-1.4471580313422192 |
| CCCc1cc(-c2ccc3[nH]ncc3c2)on1,-3.403120521175818 |
| CNC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1,-3.6306312440205 |
| c1cc2[nH]ncc2cc1-c1cc(CN2CCCCC2)no1,-3.5809249756756194 |
| c1ccc(-c2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1,-1.0 |
| Cc1nc(-c2ccc3[nH]ncc3c2)cs1,-3.4565178578052627 |
| Nc1nc(-c2ccc3[nH]ncc3c2)cs1,-3.650501794878367 |
| CCNc1nc(-c2ccc3[nH]ncc3c2)cs1,-3.5938396610812715 |
| c1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)c(-c3ccccc3)s2)cc1,-3.5317343092765503 |
| c1ccn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2c1,-3.4168068718229443 |
| CCCCNc1c(-c2ccc3[nH]ncc3c2)nc2ncccn12,-1.241172786770047 |
| Clc1ccc(Nc2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1,-2.08278537031645 |
| c1cn2c(NC3CCCCC3)c(-c3ccc4[nH]ncc4c3)nc2s1,-2.807535028068853 |
| Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C,-1.4000196350651586 |
| COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1,-2.7000023971422538 |
| Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,-3.2999994961169836 |
| O=C1Nc2ccccc2Nc2cc(-c3ccncc3F)ccc21,-2.200001865406602 |
| CC(=O)Nc1c(C(N)=O)sc2ccc(Cl)c(Cl)c12,-3.6999997975545824 |
| COc1cccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)c1,-2.7000023971422538 |
| NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,-2.300008202553813 |
| Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12,-2.800001827817969 |
| NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,-3.799999762890647 |
| Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,-3.59999981394342 |
| OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-1.7000110623221123 |
| Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,-2.0 |
| Cc1ccccc1-c1cccc2c1c(Nc1ccccc1)c(C(=O)O)n2CCCOc1cccc2ccccc12,-3.2999994961169836 |
| OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,-2.9000009651534695 |
| CSc1c[nH]c2ncnc(NCCCO)c12,-3.4000006169763797 |
| CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O,-3.1999991251967965 |
| O=C(Nc1cnccn1)Nc1ccnc2c(F)cccc12,-0.7000110623221123 |
| COc1ccccc1C(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12,-0.7000110623221123 |
| CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21,-3.100001582801352 |
| OCCNc1cc2cc(-c3cccnc3)ccc2cn1,-3.0 |
| NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1,-2.0 |
| CCOC(=O)Cc1nc2c3cc(Br)ccc3[nH]c(=O)n2n1,-3.0 |
| Nc1ncnc2c1C(=O)Nc1ccccc1N2,-3.6999997975545824 |
| CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1,-3.5000003213429354 |
| CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O,-1.899984562549391 |
| COc1ccc2c(c1)C(=Cc1c[nH]cn1)C(=O)N2,-2.200001865406602 |
| Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1,-2.500003068051693 |
| O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1,-3.1999991251967965 |
| Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1,-3.2999994961169836 |
| Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21,-2.800001827817969 |
| Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12,-2.400002345927956 |
| Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1,-3.1999991251967965 |
| NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1,-2.0 |
| COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1,-3.2999994961169836 |
| COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1,-3.1999991251967965 |
| O=c1cc(-c2ccc(F)cc2)[nH]c2c(-c3ccc(F)cc3)cnn12,-2.7000023971422538 |
| COc1cc(C=C2SC(=O)NC2=O)ccc1O,-3.59999981394342 |
| Cc1n[nH]c2c1C(c1ccccc1I)C(C#N)=C(N)O2,-3.5000003213429354 |
| Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1,-3.4000006169763797 |
| CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2C,-3.6999997975545824 |
| CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1,-1.7000110623221123 |
| CCN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1,-3.1999991251967965 |
| Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,-1.299942900022767 |
| Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1,-3.799999762890647 |
| CC(=O)Nc1cccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)c1,-1.899984562549391 |
| Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C,-3.799999762890647 |
| COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1,-3.0 |
| O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,-1.7000110623221123 |
| NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,-2.800001827817969 |
| Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1,-2.300008202553813 |
| COCCN(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1,-2.0 |
| CC(C)(C)Oc1cc(-c2ccncc2)cc2[nH]nc(N)c12,-2.800001827817969 |
| O=c1cc(-c2ccncc2)nc(NC2CCCCC2)[nH]1,-2.300008202553813 |
| CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1,-1.599992177584098 |
| Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1,-2.300008202553813 |
| O=C(Cc1ccc(Cl)cc1)Nc1[nH]nc2c1CCC2,-2.300008202553813 |
| CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-2.800001827817969 |
| Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1,-2.9000009651534695 |
| COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.099991233544684 |
| c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1,-3.6999997975545824 |
| Cc1ccc(C(=O)Nc2c(C(N)=O)sc3ccc(Cl)c(Cl)c23)cc1,-3.59999981394342 |
| O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(OC(F)F)ccc12,-1.1000257301078626 |
| O=C(O)c1cc2c(-c3cccc(F)c3)cncc2s1,-2.400002345927956 |
| CC(C)(CO)CCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-1.4999618655961902 |
| Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1,-3.100001582801352 |
| CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1,-3.100001582801352 |
| CCNc1nc2cc(Cl)c(OC)cc2nc1NCC,-2.7000023971422538 |
| O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)ccc(F)c12,-0.899984562549391 |
| Cc1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1F,-0.4999618655961902 |
| CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12,-2.9000009651534695 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,-2.800001827817969 |
| CN(C)c1cc2sncc2cc1NC(=O)C(=O)O,-2.60000308662774 |
| c1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)cc1,-0.899984562549391 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,-2.0 |
| Cc1ccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)cc1,-3.6999997975545824 |
| Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1,-3.5000003213429354 |
| NC(=O)c1sc2c(Br)ccc(Cl)c2c1N,-3.4000006169763797 |
| O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,-1.8000293592441343 |
| COc1cc(C=C2SC(=S)NC2=O)ccc1O,-2.9000009651534695 |
| O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F,-2.7000023971422538 |
| CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,-3.0 |
| O=c1[nH]c2cc(Br)cnc2[nH]1,-4.799999969383821 |
| Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)n[nH]1,-1.7000110623221123 |
| COCC(C)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.400002345927956 |
| O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,-3.0 |
| c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,-2.400002345927956 |
| [2H]C([2H])([2H])Oc1cccc(C(C)NC(=O)c2sc(-c3ccncc3)nc2C)c1,-3.2999994961169836 |
| Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1,-2.0 |
| NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F,-1.4000196350651586 |
| Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1,-2.800001827817969 |
| O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,-2.500003068051693 |
| COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,-2.400002345927956 |
| Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1,-3.5000003213429354 |
| OCc1cc(-c2ccc3[nH]ncc3c2)on1,-3.5000003213429354 |
| NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,-0.8000293592441343 |
| CC(C)n1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cc21,-3.100001582801352 |
| O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1,-1.7000110623221123 |
| Cc1nccn2c(-c3ccnc(NCC(C)(C)C(=O)O)n3)c(-c3ccc(F)cc3F)nc12,-3.2999994961169836 |
| CC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1,-3.799999762890647 |
| COc1cc(C)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,-3.2999994961169836 |
| O=C(Cc1cccs1)Nc1nc2ccccc2s1,-2.7000023971422538 |
| Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2,-3.2999994961169836 |
| Nc1ncnc2c1sc1ncnc(N)c12,-3.1999991251967965 |
| O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1,-3.5000003213429354 |
| OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12,-3.1999991251967965 |
| CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,-3.799999762890647 |
| NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,-3.2999994961169836 |
| Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1cccs1,-2.200001865406602 |
| O=c1[nH]cnc2c(Cl)cccc12,-4.29999993144297 |
| CC1=NN(c2ccccc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O,-3.1999991251967965 |
| NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1,-2.200001865406602 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1,-2.60000308662774 |
| Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,-0.899984562549391 |
| O=C(Nc1cnccn1)Nc1ccnc2ccccc12,-0.899984562549391 |
| Cc1n[nH]c2ccc(-c3cncc(OCCNS(C)(=O)=O)c3)cc12,-3.0 |
| CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,-3.1999991251967965 |
| O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,-2.9000009651534695 |
| Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1,-2.400002345927956 |
| Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21,-3.5000003213429354 |
| CN(C)c1ccc(-c2c(-c3ccc4[nH]nc(N)c4c3)nnn2Cc2ccccc2)cc1,-1.4000196350651586 |
| O=C1NCCc2[nH]c(-c3ccncc3)cc21,-1.599992177584098 |
| Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,-3.100001582801352 |
| O=C(Nc1n[nH]c2nc3ccccc3cc12)c1ccncc1,-2.500003068051693 |
| Cc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(C)c1,-2.7000023971422538 |
| CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-2.099991233544684 |
| CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-1.599992177584098 |
| COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1,-2.60000308662774 |
| CCOC(=O)C1=C(N)n2c(sc(=Cc3cccs3)c2=O)=C(C(N)=O)C1c1cccs1,-3.0 |
| O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,-2.9000009651534695 |
| O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,-3.2999994961169836 |
| Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,-1.299942900022767 |
| Nc1ncnc2sc3c(c12)-c1ccc(NC(=O)Nc2ccccc2)cc1CC3,-3.2999994961169836 |
| O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,-2.9000009651534695 |
| O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1,-2.0 |
| CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,-2.60000308662774 |
| CCCCNc1cc(-c2ccncc2)cc2[nH]nc(N)c12,-2.60000308662774 |
| O=c1[nH]cc(I)c2nc(-c3cccc(Cl)c3)cn12,-3.799999762890647 |
| Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccncc2)c1,-2.60000308662774 |
| Nc1ncnc2scc(-c3ccccc3)c12,-4.600000032123142 |
| O=c1[nH][nH]c2ccc(Br)cc12,-4.29999993144297 |
| CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,-2.300008202553813 |
| NC(=O)c1cc2c(-c3ccc(Nc4nc5ccccc5o4)cc3)cnc(N)c2s1,-2.800001827817969 |
| CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21,-3.1999991251967965 |
| CCCCOc1cc(-c2ccncc2)cc2[nH]nc(N)c12,-2.800001827817969 |
| Oc1ccc(-c2n[nH]c(Nc3cccc(Cl)c3)c2-c2ccc(O)cc2)cc1,-3.799999762890647 |
| NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-2.200001865406602 |
| NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,-2.099991233544684 |
| CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-3.1999991251967965 |
| NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,-2.500003068051693 |
| OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12,-3.1999991251967965 |
| COc1cc(OC)cc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,-1.599992177584098 |
| CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,-2.7000023971422538 |
| COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1,-1.899984562549391 |
| NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,-3.5000003213429354 |
| CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,-2.7000023971422538 |
| Nc1ncnc2c1c(I)nn2C1CCC(O)CC1,-3.5000003213429354 |
| Cc1cc(C)cc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1,-3.2999994961169836 |
| COc1ccc(C=NNc2ncnc3c2[nH]c2ccccc23)cc1OC,-2.099991233544684 |
| CS(=O)(=O)c1cccc(-c2cnn3c(C(N)=O)cc(-c4ccccc4)nc23)c1,-3.100001582801352 |
| CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,-3.100001582801352 |
| Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1,-3.1999991251967965 |
| COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC,-1.299942900022767 |
| ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,-3.100001582801352 |
| CC(C)Cc1cc(-c2ccc3[nH]nc(N)c3c2)on1,-3.100001582801352 |
| Cc1n[nH]c2ccc(-c3cncc(OCCN)c3)cc12,-3.4000006169763797 |
| Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,-2.500003068051693 |
| Nc1nc(=O)[nH]c2sccc12,-4.600000032123142 |
| Fc1cccc(-c2c[nH]c3ncccc23)c1,-3.2999994961169836 |
| CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,-2.0 |
| O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1,-1.4999618655961902 |
| NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1,-3.0 |
| CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12,-3.4000006169763797 |
| O=c1cc(-c2ccncc2)nc(NCc2cc(F)cc(F)c2)[nH]1,-2.300008202553813 |
| Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,-2.9000009651534695 |
| N#CC1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1,-2.400002345927956 |
| CCC(N)(C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12)CC,-3.1999991251967965 |
| NC(=O)c1cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cncc2s1,-2.0 |
| COCCN(CCOC)c1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-3.0 |
| Nc1ncc2cccc(-c3ccccc3)n12,-4.29999993144297 |
| c1ccc(C2CCc3[nH]ncc3C2)cc1,-4.799999969383821 |
| CNCCOc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,-3.4000006169763797 |
| Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,-3.4000006169763797 |
| CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)CC1,-1.4000196350651586 |
| COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,-3.5000003213429354 |
| OCCCn1cnc(-c2ccccc2)c1-c1ccncc1,-3.59999981394342 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,-3.100001582801352 |
| CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(NC(C)=O)c3c2)cc1,-2.400002345927956 |
| Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12,-0.899984562549391 |
| NC(=O)Cn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,-2.0 |
| COc1cccc(NC(=O)N2CCC(c3nc4c(C(N)=O)cccc4[nH]3)CC2)c1,-3.5000003213429354 |
| N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,-2.300008202553813 |
| O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1,-1.4999618655961902 |
| Cc1ccccc1-c1c(-c2ccc3[nH]nc(N)c3c2)nnn1Cc1ccccc1,-2.099991233544684 |
| N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,-2.400002345927956 |
| N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1,-0.599992177584098 |
| COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12,-3.100001582801352 |
| O=C1Nc2ccccc2Nc2nnc(I)cc21,-2.0 |
| NC(=O)c1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1,-2.200001865406602 |
| OCCNc1cc2cc(-c3ccncc3)ccc2cn1,-3.799999762890647 |
| NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,-2.9000009651534695 |
| COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1O,-2.7000023971422538 |
| CC1c2cccn2CCN1Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1,-3.5000003213429354 |
| O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,-1.2000292665537704 |
| CC(C)(C)Nc1ncnc2[nH]cc(-c3ccccc3)c12,-2.800001827817969 |
| Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1,-3.2999994961169836 |
| COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(O)CO)c5)cnc(N)c34)cc2)cc1,-3.4000006169763797 |
| O=c1cc(-c2cccc(F)c2)[nH]c2c(-c3ccc(F)cc3)cnn12,-3.2999994961169836 |
| Nc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,-3.4000006169763797 |
| OC1CCCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)C1,-2.0 |
| COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)s2)c1,-2.800001827817969 |
| c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1,-1.299942900022767 |
| COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,-2.400002345927956 |
| CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1,-3.1999991251967965 |
| CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12,-2.800001827817969 |
| NC(=O)c1ccc(-c2ccncc2)cc1NCc1cccc(F)c1,-2.9000009651534695 |
| Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N,-3.5000003213429354 |
| O=C1Nc2ccccc2Nc2cc(-c3ccncc3Cl)ccc21,-2.400002345927956 |
| NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,-3.6999997975545824 |
| Fc1cccc(CNc2ncnc3[nH]cnc23)c1,-4.699999970860912 |
| CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,-2.400002345927956 |
| O=C1CN=C(c2cccc(Cl)c2)c2c(sc3c2CCCC3)N1,-3.5000003213429354 |
| COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1OCC(O)CO,-2.800001827817969 |
| O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1,-3.5000003213429354 |
| O=C1CN2C(=NN1)COc1ccccc12,-4.500000046671104 |
| N#Cc1ncc2nc1OCCCCCOc1cc(OCC(O)CO)c(Cl)cc1NC(=O)N2,-3.59999981394342 |
| Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21,-3.2999994961169836 |
| NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,-1.8000293592441343 |
| OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1,-3.1999991251967965 |
| c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1,-2.9000009651534695 |
| COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O,-2.60000308662774 |
| O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21,-3.6999997975545824 |
| COC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,-2.800001827817969 |
| C=Cc1ccc(-c2cccc3nnc(N)n23)cc1,-4.099999857942367 |
| Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,-3.5000003213429354 |
| N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,-3.100001582801352 |
| CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1N,-3.100001582801352 |
| O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,-3.0 |
| NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1,-3.2999994961169836 |
| CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-2.400002345927956 |
| O=C1NC(=O)C(Nc2ccccc2)=C1Cl,-3.0 |
| CC(C)Nc1n[nH]c2ccc(N)cc12,-2.9000009651534695 |
| Cc1sc2[nH]c(=O)n3nc(-c4ccncc4)nc3c2c1C,-2.800001827817969 |
| Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1,-3.2999994961169836 |
| COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,-3.1999991251967965 |
| c1cc2c(s1)CCc1cn[nH]c1-2,-4.799999969383821 |
| Cc1cc(-c2ncnc3[nH]ccc23)ccc1F,-3.799999762890647 |
| O=C(Nc1ccccc1)Nc1nccs1,-4.0 |
| O=[N+]([O-])c1cccc(-c2nnc3ccc(N4CCCCC4)nn23)c1,-1.599992177584098 |
| O=C(O)c1ccccc1Nc1ncnc(Nc2ccc3cn[nH]c3c2)n1,-1.2000292665537704 |
| NC(=O)c1cc2c(-c3ccccc3)cncc2s1,-2.0 |
| NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1,-2.9000009651534695 |
| N#Cc1ncc2nc1OCC(O)C(O)COc1ccc(Cl)cc1NC(=O)N2,-3.799999762890647 |
| CCc1ccc2c(NC(=O)Nc3cccc(C(F)(F)F)n3)ccnc2c1,-1.4999618655961902 |
| Nc1nonc1-n1nnc(C(=O)NN=Cc2ccncc2)c1-c1ccccc1,-3.59999981394342 |
| Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,-2.200001865406602 |
| NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1,-2.60000308662774 |
| COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O,-2.7000023971422538 |
| COc1cc(C=C(C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1O,-3.1999991251967965 |
| O=C(NN=Cc1cc(Br)c(O)c(Br)c1)Nc1ccccc1,-2.9000009651534695 |
| Cc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1,-3.6999997975545824 |
| Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O,-1.2000292665537704 |
| Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,-1.4999618655961902 |
| O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1,-3.5000003213429354 |
| COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,-1.899984562549391 |
| CS(=O)(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,-2.9000009651534695 |
| O=C1Cc2cc(-c3ccccc3)cnc2N1,-4.199999947261554 |
| COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12,-3.799999762890647 |
| O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ncccc2N1,-1.0 |
| Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,-3.0 |
| CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12,-0.4000196350651585 |
| Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F,-4.899999981014695 |
| Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,-3.100001582801352 |
| Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1,-3.4000006169763797 |
| O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12,-1.0 |
| O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12,-0.599992177584098 |
| Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)n[nH]1,-3.100001582801352 |
| O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,-2.200001865406602 |
| CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1,-3.1999991251967965 |
| COC(=O)c1csc2ccc(=O)[nH]c12,-4.899999981014695 |
| NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,-1.1000257301078626 |
| O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12,-3.0 |
| Cc1n[nH]c2ccc(-c3cccnc3)cc12,-3.59999981394342 |
| OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.0 |
| CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,-3.2999994961169836 |
| CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1,-2.60000308662774 |
| CNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-2.0 |
| NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12,-1.4999618655961902 |
| CC(C)OC1=NNC(=O)C1=Cc1c[nH]c2ccccc12,-3.799999762890647 |
| CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1,-3.2999994961169836 |
| CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1,-2.500003068051693 |
| COc1ccc(CNc2cc(-c3c[nH]c4ncccc34)cc(F)n2)cc1,-1.4999618655961902 |
| O=C1Nc2ccccc2Nc2cc(-c3ccncc3)ccc21,-2.60000308662774 |
| CCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(N(C)C(=O)C3CCCCC3)ccc21,-3.6999997975545824 |
| O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2,-2.800001827817969 |
| O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,-1.1000257301078626 |
| O=c1cc(C(F)(F)F)c2c(-c3cccc(C(F)(F)F)c3)n[nH]c2[nH]1,-3.6999997975545824 |
| N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,-2.099991233544684 |
| Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,-3.5000003213429354 |
| NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,-0.4000196350651585 |
| NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,-2.300008202553813 |
| CCCC(=O)Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,-0.4999618655961902 |
| COc1nc(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c1C#N,-3.4000006169763797 |
| CCCc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,-0.8000293592441343 |
| CC1(C)CC2=Nc3cc(Cl)ccc3SC2=C(O)C1,-3.4000006169763797 |
| COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1,-2.800001827817969 |
| CN(C)CCCOc1cc(-c2ccncc2)cc2[nH]nc(N)c12,-3.799999762890647 |
| CCn1c(C)c(-c2ccnc(Nc3cccc(OC)c3)n2)sc1=O,-1.1000257301078626 |
| O=C(NCc1ccccc1)Nc1ncc([N+](=O)[O-])s1,-2.300008202553813 |
| O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1,-3.5000003213429354 |
| CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1,-3.6999997975545824 |
| CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1,-2.9000009651534695 |
| CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1,-2.7000023971422538 |
| Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21,-3.2999994961169836 |
| COc1ccc(OC)c(CNC(=O)c2cc(N)c(C#N)c(OC(C)C)n2)c1,-3.1999991251967965 |
| O=c1[nH]cnc2c1oc1ccc(Cl)cc12,-3.799999762890647 |
| Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,-2.200001865406602 |
| NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,-2.9000009651534695 |
| CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.60000308662774 |
| CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,-3.4000006169763797 |
| O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,-3.5000003213429354 |
| O=C(O)c1csc2c1NCCNC2=O,-4.699999970860912 |
| N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,-3.4000006169763797 |
| NC(COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12,-2.300008202553813 |
| Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,-3.0 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,-2.099991233544684 |
| CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(F)n1,-3.2999994961169836 |
| COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC,-2.60000308662774 |
| Nc1n[nH]c2cccc(-c3ccc(F)cc3)c12,-4.29999993144297 |
| CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1,-2.9000009651534695 |
| Cc1cc(NC(=O)Cc2ccc(-c3cccc4[nH]nc(N)c34)cc2)ccc1F,-3.6999997975545824 |
| COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C,-3.0 |
| NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,-2.0 |
| Cc1nnc(-c2ccccc2)c(C#N)n1,-5.0 |
| CN(C)c1ccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)cc1,-3.6999997975545824 |
| N#Cc1cccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1,-0.599992177584098 |
| O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,-3.5000003213429354 |
| O=c1[nH]c2cc(-c3ccccc3)cnc2[nH]1,-3.4000006169763797 |
| N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1,-3.5000003213429354 |
| CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1,-3.2999994961169836 |
| CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12,-3.4000006169763797 |
| CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1,-3.4000006169763797 |
| CC(C)(Nc1nccc(-c2c[nH]c3ncccc23)n1)c1ccccc1,-2.099991233544684 |
| Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,-1.1000257301078626 |
| O=C(Nc1cnccn1)Nc1ccnc2c(F)cc(F)cc12,-1.4000196350651586 |
| Cc1ccc(Nc2c(C(=O)O)n(CCCOc3cccc4ccccc34)c3cccc(-c4ccccc4C)c23)cc1,-3.59999981394342 |
| N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1,-2.7000023971422538 |
| NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1,-2.7000023971422538 |
| Cc1n[nH]c2c1C(c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2,-1.299942900022767 |
| CC(C)N(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1,-1.2000292665537704 |
| Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1,-3.5000003213429354 |
| Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1,-3.1999991251967965 |
| NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,-0.8000293592441343 |
| COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1,-3.6999997975545824 |
| CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1,-3.100001582801352 |
| CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,-2.9000009651534695 |
| Cc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccn1,-2.800001827817969 |
| CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(NC(=O)CC)c3c2)cc1,-1.8000293592441343 |
| O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1,-3.2999994961169836 |
| O=c1[nH]n2ccccc2c1Br,-3.5000003213429354 |
| NC(=O)c1cc2ccncc2s1,-3.6999997975545824 |
| O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1,-1.0 |
| CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,-2.60000308662774 |
| CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccncc3)nc12,-2.500003068051693 |
| Oc1cccc(Nc2ncnc3scc(Cl)c23)c1,-3.59999981394342 |
| COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC,-3.4000006169763797 |
| NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.9000009651534695 |
| NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1,-2.400002345927956 |
| Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1,-0.899984562549391 |
| NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,-2.0 |
| COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O,-2.099991233544684 |
| CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1,-3.6999997975545824 |
| CCCC(=O)Nc1n[nH]c2ccc(-c3cccc(F)c3F)cc12,-0.4000196350651585 |
| Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21,-2.800001827817969 |
| Nc1nnc2cncc(Cl)n12,-4.500000046671104 |
| S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CCC4,-2.500003068051693 |
| COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1,-2.7000023971422538 |
| Cc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,-1.299942900022767 |
| Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,-3.6999997975545824 |
| O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,-2.7000023971422538 |
| O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(Cl)c1,-0.599992177584098 |
| Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1,-1.899984562549391 |
| COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCNC(C)=O)cc2NC3=O)ccc1O,-2.7000023971422538 |
| CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)cc1,-3.2999994961169836 |
| Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2,-3.799999762890647 |
| Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1,-3.5000003213429354 |
| CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1,-2.60000308662774 |
| Cc1c(-c2ccc3[nH]nc(N)c3c2)nnn1Cc1ccccc1,-1.8000293592441343 |
| CC(=O)c1cccc(-c2ccc3nccn3n2)c1,-4.399999925393822 |
| Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21,-3.2999994961169836 |
| Cn1cc(-c2ccccc2)c2nc(-c3ccncc3)cc(=O)n21,-2.099991233544684 |
| O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(C(F)(F)F)ccc12,-0.899984562549391 |
| Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,-3.59999981394342 |
| Cn1cc(Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)cn1,-0.7000110623221123 |
| Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,-3.1999991251967965 |
| O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,-2.9000009651534695 |
| NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1,-1.899984562549391 |
| O=c1[nH]cnc2c1sc1c(Cl)ccc(Cl)c12,-3.59999981394342 |
| NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1,-2.200001865406602 |
| Oc1c2ccccc2c2c3c(cccc13)N=N2,-2.500003068051693 |
| c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,-0.899984562549391 |
| CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O,-3.6999997975545824 |
| Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,-0.599992177584098 |
| NC1CCCCC1Nc1nccc(Nc2ccccc2C(=O)O)n1,-3.799999762890647 |
| NC(=O)c1sc2ccc(Cl)c(Cl)c2c1NC(=O)c1ccc(Cl)cc1,-3.59999981394342 |
| O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3,-2.099991233544684 |
| Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12,-2.200001865406602 |
| CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,-1.8000293592441343 |
| O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12,-2.800001827817969 |
| FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1,-2.0 |
| CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1,-2.0 |
| CSc1cnc2c(ccc3cnccc32)c1O,-2.099991233544684 |
| O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12,-1.599992177584098 |
| Cc1cccc(-c2cccc3onc(N)c23)c1,-4.600000032123142 |
| CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1,-3.4000006169763797 |
| O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23,-3.6999997975545824 |
| Cc1n[nH]c2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,-2.9000009651534695 |
| COc1ccc(C(=O)Nc2cnc3[nH]cc(-c4ccccc4)c3c2)cc1,-3.2999994961169836 |
| O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1,-3.5000003213429354 |
| O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12,-1.4000196350651586 |
| Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,-3.100001582801352 |
| NC(=O)c1cc(-c2cccs2)n2nccc2n1,-4.600000032123142 |
| O=c1[nH]c2ccc(Cl)cc2c2ncnn12,-4.600000032123142 |
| N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,-2.200001865406602 |
| Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21,-2.60000308662774 |
| Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,-1.4999618655961902 |
| CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,-2.800001827817969 |
| C(=Cc1cncc(OCCc2c[nH]c3ccccc23)c1)c1ccncc1,-3.6999997975545824 |
| COc1ccc(-c2cnc3c(Br)cnn3c2)cc1,-3.5000003213429354 |
| COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O,-3.5000003213429354 |
| CCCC(=O)Nc1n[nH]c2nc3ccccc3cc12,-2.200001865406602 |
| Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1,-3.5000003213429354 |
| CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1,-1.4999618655961902 |
| O=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccncc3)nc12,-0.4000196350651585 |
| O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12,-1.2000292665537704 |
| CN(C)c1cc(-c2ccncc2)cc2[nH]nc(N)c12,-3.100001582801352 |
| Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1,-3.4000006169763797 |
| Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C,-1.4000196350651586 |
| Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1,-3.2999994961169836 |
| Cc1n[nH]c2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12,-2.60000308662774 |
| CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C,-3.4000006169763797 |
| Cc1n[nH]c2c1C(c1ccccc1Cl)C(C#N)=C(N)O2,-3.799999762890647 |
| O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,-2.200001865406602 |
| c1cnc2[nH]cc(-c3ccnc(NCC4CCCCC4)n3)c2c1,-2.099991233544684 |
| O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21,-4.799999969383821 |
| Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1,-3.4000006169763797 |
| NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,-3.2999994961169836 |
| O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,-2.300008202553813 |
| c1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2-c2ccccc2)cc1,-1.0 |
| FC(F)(F)c1ccccc1CNc1nccc(-c2c[nH]c3ncccc23)n1,-1.1000257301078626 |
| O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21,-2.7000023971422538 |
| CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F,-2.800001827817969 |
| COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,-0.8000293592441343 |
| COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O,-3.5000003213429354 |
| c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1,-4.399999925393822 |
| O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1,-2.7000023971422538 |
| O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1,-2.60000308662774 |
| COc1ccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)cc1,-1.8000293592441343 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)s2)c1,-3.100001582801352 |
| CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1,-3.100001582801352 |
| Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12,-3.799999762890647 |
| CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12,-2.099991233544684 |
| COc1cccc(C(C)NC(=O)c2cc(C)c(-c3ccc4[nH]nc(C)c4c3)s2)c1,-1.7000110623221123 |
| COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O,-2.60000308662774 |
| Cc1ccccc1-c1c(-c2ccc3[nH]nc(C)c3c2)nnn1Cc1ccccc1,-1.1000257301078626 |
| CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,-3.2999994961169836 |
| O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12,-0.899984562549391 |
| Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1,-2.60000308662774 |
| CN1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOCC5CC5)c4)n[nH]c2-3)CC1,-3.4000006169763797 |
| NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,-2.800001827817969 |
| Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21,-3.5000003213429354 |
| COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C,-2.60000308662774 |
| O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,-0.4999618655961902 |
| CN(C)CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1,-2.9000009651534695 |
| N#Cc1ccc2c(c1)C(c1ccc3c(n1)CCCC3O)C(=O)N2,-1.4999618655961902 |
| OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,-1.8000293592441343 |
| Nc1ncnc2c1N=C(c1ccccc1)CCN2,-4.699999970860912 |
| CS(=O)(=O)Nc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2,-2.9000009651534695 |
| COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1,-3.2999994961169836 |
| Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,-3.0 |
| CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-1.899984562549391 |
| CC(=O)Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1,-3.799999762890647 |
| O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1,-1.7000110623221123 |
| CC(C)(O)c1cn(-c2ccc3[nH]ncc3c2)nn1,-4.099999857942367 |
| COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12,-2.60000308662774 |
| Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1,-2.500003068051693 |
| CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.500003068051693 |
| Clc1cc(-c2c[nH]c3ncccc23)ncn1,-2.9000009651534695 |
| NC(=O)c1cccc2[nH]c(-c3ccc(NC(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)cc3)nc12,-3.799999762890647 |
| O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F,-2.7000023971422538 |
| NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,-1.299942900022767 |
| Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1,-2.60000308662774 |
| Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.7000023971422538 |
| O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1,-3.6999997975545824 |
| CCS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1,-1.599992177584098 |
| CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O,-2.9000009651534695 |
| Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1,-3.59999981394342 |
| NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,-3.100001582801352 |
| C[S+](O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,-3.1999991251967965 |
| CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1,-1.2000292665537704 |
| O=C(NC(CO)c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1,-3.1999991251967965 |
| CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21,-3.4000006169763797 |
| NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,-3.0 |
| CC(=O)c1ccccc1-c1ncnc2[nH]ccc12,-4.799999969383821 |
| CC(=O)N(c1ccncc1)c1c(NC(C)C(C)(C)C)c(=O)c1=O,-3.6999997975545824 |
| CCCCNc1nc(N)c(C(=O)c2ccccc2)s1,-2.200001865406602 |
| Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,-1.2000292665537704 |
| Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,-1.0 |
| Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12,-3.100001582801352 |
| NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-2.60000308662774 |
| Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1,-2.9000009651534695 |
| Cc1n[nH]c2c1C(c1ccccc1Br)C(C#N)=C(N)O2,-3.59999981394342 |
| COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,-3.1999991251967965 |
| CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1,-1.899984562549391 |
| O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2)[nH]1,-1.599992177584098 |
| COc1cccc(C(C)NC(=O)c2cnc(-c3ccncc3)nc2)c1,-3.1999991251967965 |
| CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1,-3.5000003213429354 |
| O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1,-3.6999997975545824 |
| Cc1nn(C)c2sc3c(=O)[nH]cnc3c12,-4.600000032123142 |
| CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,-2.200001865406602 |
| CC(=O)Nc1ccc(-n2nc3ccc(N)nc3n2)cc1,-3.100001582801352 |
| O=C1Nc2ccccc2Nc2nnccc21,-3.1999991251967965 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,-2.400002345927956 |
| O=C1Nc2ccccc2Nc2nnc(Cl)cc21,-2.300008202553813 |
| CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O,-3.59999981394342 |
| Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,-1.0 |
| COc1cc(Nc2nccc(Nc3cc(C4CCCCC4)no3)n2)cc(OC)c1OC,-3.4000006169763797 |
| O=C(NC(CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1,-3.100001582801352 |
| O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,-2.400002345927956 |
| Nc1ncnc2sccc12,-4.199999947261554 |
| Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,-1.1000257301078626 |
| NC(=O)c1ccc(-c2ccncc2)cc1NCc1ccccc1,-3.1999991251967965 |
| Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,-2.800001827817969 |
| Cc1n[nH]c2ncc(C#N)c(-c3ccccc3)c12,-3.1999991251967965 |
| CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O,-2.60000308662774 |
| CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,-3.5000003213429354 |
| CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1,-3.100001582801352 |
| O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1,-0.899984562549391 |
| N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O,-2.7000023971422538 |
| c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)n3)c2c1,-1.4999618655961902 |
| COc1cc(C(=O)O)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1,-3.1999991251967965 |
| Clc1ccc(-c2n[nH]cc2-c2ccncn2)cc1Cl,-3.6999997975545824 |
| CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br,-3.5000003213429354 |
| CN(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1,-2.300008202553813 |
| Cc1nccn2c(-c3ccnc(NCC4(O)CC4)n3)c(-c3ccc(F)cc3F)nc12,-3.5000003213429354 |
| CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1,-1.599992177584098 |
| O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,-3.0 |
| Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1,-0.599992177584098 |
| COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2C,-3.0 |
| Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1,-3.100001582801352 |
| OCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.300008202553813 |
| CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12,-2.60000308662774 |
| C=CCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1,-2.0 |
| O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12,-0.8000293592441343 |
| CN(C)CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12,-1.899984562549391 |
| O=C(O)c1cc2c(-c3ccccc3)cncc2s1,-2.60000308662774 |
| CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,-2.0 |
| Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1,-3.59999981394342 |
| N#Cc1cccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)n1,-1.4000196350651586 |
| Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,-3.1999991251967965 |
| COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1,-3.4000006169763797 |
| O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12,-2.400002345927956 |
| COc1cccc(CNC(=O)c2cc3c(-c4ccccc4)n[nH]c3s2)c1,-3.2999994961169836 |
| O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12,-1.8000293592441343 |
| Nc1nnc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)o1,-0.4999618655961902 |
| COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(Cl)c5o4)cc3)c3c(N)ncnc32)CC1,-2.099991233544684 |
| Nc1cc(=O)[nH]n1-c1ccccn1,-4.29999993144297 |
| CN(C)CC1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,-2.9000009651534695 |
| O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cc(F)ccc1F,-0.2999429000227671 |
| NC(=O)c1cc2c(-c3ccc(F)cc3F)cncc2s1,-2.300008202553813 |
| COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O,-3.100001582801352 |
| CNC(=O)c1cc(-c2ccccc2)[nH]n1,-3.0 |
| CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2cnccc12,-3.59999981394342 |
| CC(C)(CN)CNc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1,-3.100001582801352 |
| CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,-2.800001827817969 |
| COc1ccc(-c2ccc(N)cc2)c2cnoc12,-4.500000046671104 |
| O=C(O)c1ccccc1Nc1ccnc(NCc2cccc(O)c2)n1,-3.100001582801352 |
| CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1,-3.799999762890647 |
| c1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1,-3.799999762890647 |
| O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,-1.299942900022767 |
| Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12,-3.2999994961169836 |
| CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12,-3.100001582801352 |
| O=C(Nc1cnccn1)Nc1ccnc2ccc(N3CC4COCC4C3)cc12,-0.899984562549391 |
| N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,-2.400002345927956 |
| CC(C)(C(N)=O)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1,-3.6999997975545824 |
| O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12,-3.2999994961169836 |
| O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F,-3.4000006169763797 |
| COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,-3.2999994961169836 |
| CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12,-3.5000003213429354 |
| CN(C)CC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12,-0.8000293592441343 |
| Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1,-3.4000006169763797 |
| COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,-1.599992177584098 |
| CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,-2.200001865406602 |
| Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,-3.100001582801352 |
| O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1cccc(F)c1F,-2.9000009651534695 |
| COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2,-1.299942900022767 |
| Oc1cnc2oc3c4ccccc4c(O)cc3c2c1-c1ccccc1,-1.0 |
| Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c32)c2ccccc12,-3.204119982655925 |
| Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O,-3.763427993562938 |
| COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1,-1.3010299956639813 |
| Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1,-1.3010299956639813 |
| Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1,-3.763427993562938 |
| COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,-4.1702617153949575 |
| COCCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N,-1.3424226808222062 |
| COCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N,-1.9542425094393248 |
| COc1cccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)c1,-1.869231719730976 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ncns4)n3)cc2)CC1,0.00436480540245 |
| COc1ccc(NC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2N)cc1,-2.838849090737255 |
| COc1ccccc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N,-1.0791812460476249 |
| CN(C)Cc1ccncc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N,0.3187587626244128 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4CN4CCCC4)n3)cc2)CC1,0.6575773191777937 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cncc(C(=O)Nc4cccnc4)n3)cc2)CC1,-2.568201724066995 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)c3)cc2)CC1,-1.806179973983887 |
| CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N)c(C(=O)Nc4cccnc4)c3)cc2)CC1,-2.0791812460476247 |
| CN(C)CCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,-1.2041199826559248 |
| CN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,-0.4913616938342727 |
| CCN(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,-0.9242792860618816 |
| CN(C)CCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,-1.3010299956639813 |
| Nc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C(=O)Nc1cccnc1,0.1739251972991735 |
| Nc1ncc(-c2ccc(S(N)(=O)=O)cc2)nc1C(=O)Nc1cccnc1,-1.0791812460476249 |
| Nc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C(=O)Nc1cccnc1,0.3979400086720376 |
| Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C(=O)Nc1cccnc1,-0.6434526764861874 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,-0.6901960800285137 |
| Nc1ncc(-c2ccc(OCCN3CCCCC3)cc2)nc1C(=O)Nc1cccnc1,-1.255272505103306 |
| COCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,-0.3010299956639812 |
| Cc1cc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)ccc1S(=O)(=O)N1CCN(C)CC1,-0.7993405494535817 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2F)CC1,-0.9542425094393248 |
| Cc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1,-0.1760912590556812 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(C(F)(F)F)c2)CC1,-0.041392685158225 |
| Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1,0.3372421683184259 |
| CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(F)c2)CC1,-0.1139433523068367 |
| CN1CCN(S(=O)(=O)c2ccccc2-c2cnc(N)c(C(=O)Nc3cccnc3)n2)CC1,-2.4771212547196626 |
| CN1CCN(S(=O)(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c2)CC1,-1.869231719730976 |
| CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O,-2.0086001717619175 |
| Clc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1,-1.7634279935629371 |
| COc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c(OC)c1O,-3.7323937598229686 |
| CNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,-3.9542425094393248 |
| CCCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,-3.643452676486187 |
| NCCNC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1,-3.681241237375587 |
| O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,-3.204119982655925 |
| COc1ccc2[nH]nc(C(=O)NCC3CCN(CCC(=O)O)CC3)c2c1,-2.7781512503836434 |
| COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1,-1.1760912590556811 |
| N#Cc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)cc1,-2.278753600952829 |
| N#Cc1cccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1,-0.9542425094393248 |
| N#Cc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1,-1.845098040014257 |
| O=C1c2cccn2-c2ccccc2SC1c1cccc2ccccc12,-4.204119982655925 |
| O=C1C(c2cccc3ccccc23)Oc2ccccc2N1Cc1ccc(F)cc1,-3.7481880270062 |
| O=C1C(c2cccc3ccccc23)Oc2cc3c(cc2N1Cc1ccccc1)OCO3,-3.7993405494535817 |
| CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1,-2.6020599913279625 |
| O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1,-3.278753600952829 |
| CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncccc45)cs3)c2)CC1,-3.322219294733919 |
| CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)cc1,-2.8129133566428557 |
| CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccccc4)on3)n2)cc1,-2.724275869600789 |
| CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1,-1.3424226808222062 |
| CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1,-2.146128035678238 |
| CC(C)(C#N)c1cccc(-c2ccnc3[nH]ccc23)n1,-2.322219294733919 |
|
|
