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Cn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21
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Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
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COc1cccc(CSc2nc(N)cc(N)n2)c1
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O=C(c1cc2ccccc2o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
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COc1ccc(CCNc2ccc(C)cc2)cc1
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Cc1cn(CCC(=O)Nc2ccccc2N2CCOCC2)c2ccccc12
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CCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
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| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(NNC(=O)c1cc2cc3ccccc3nc2s1)c1cccc(Cl)c1
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 1
| null | 0
| 0
| 1
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 1
| 0
| 1
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 1
| null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(-c2csc(NC(=O)/C(=N/Nc3ccccc3)C(C)=O)n2)cc1
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N
| null | 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1nc2ccccc2c(=O)n1N
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
CN(C)S(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cc2nnc(SCC(=O)N3C(C)CCCC3C)n2c(N)n1
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| null | 0
| null | 0
|
O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COCCNC(=O)C1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(=O)c1cccc(-c2ccnc3c2CC(C(=O)NC(C)C)O3)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(NCc1cccs1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 1
| 1
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
N/C(=N\OC(=O)Cc1cccs1)c1cccc([N+](=O)[O-])c1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc(=O)n1Cc1ccc2c(c1)OCO2
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOc1cccc(-c2cc(NCCc3ccccn3)n3nccc3n2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
N/C(=N\OC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC1CC(C)CN(CC(=O)N2c3ccccc3CCc3ccccc32)C1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(NCCCOc1cccc2ccccc12)c1ccccc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 1
| null | 1
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
N/C(=N\OC(=O)CCC1CCCCC1)c1ccccn1
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12
| null | null | null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
c1coc(-c2ccc3nncn3c2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 1
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 1
| null | 0
| null | 1
| 0
| 0
| 0
| 0
| 1
| null | null | null | null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCCN1CCCC1=O)C2
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(Cl)cc1C(=O)CSc1nnnn1C
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
NC1=NON/C1=C(/N)N/N=C/C1=CC(=O)C(=O)C=C1
| null | null | null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 1
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Nc1ccc(C(=O)NC2CCSc3ccccc32)cc1[N+](=O)[O-]
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 1
| null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cn1nnnc1SCC(=O)N1CCCCC1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cn1nnnc1SCC(=O)NC1CCCCC1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
COc1ccc(C(=O)NNC(=O)CSc2nnnn2C)cc1
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cn1nnnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCCCCCN1C(=O)[C@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OCC)CCC=C12
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(NN1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCC(=O)c1cc(F)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC1(C)Cc2c(sc(/N=C/N3CCCCCC3)c2C#N)C(C)(C)N1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(O)c1cccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCC(C)(C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 1
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(CCCc1ccccc1)NCc1ccccn1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nnc2ccccc21
| 0
| null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null |
Cc1cc(C)n(C(=O)CNC(=O)c2ccccc2F)n1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| null | 0
| null | 0
| null | null | null | null | null | 0
| 1
| null | null | 0
| null | null | null | null | null | 1
| null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | null | 1
| null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1cc(C)n(C(=O)CNC(=O)c2cccc(Cl)c2)n1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1c(C)n2c(SCC(=O)NC3CCCCC3)n[nH]c2nc1=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | null | null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(C1CCCO1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1c(C)n2c(SCC(=O)N3CCCCC3)n[nH]c2nc1=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(C(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2S1(=O)=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| null | 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1c(C)nn2CCC#N
| null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| null | 0
| 1
| 0
|
Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| null | 0
| null | 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(C1CCCCC1)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | null | 1
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| null | 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCN(CCCC)c1ccc(/C=C2\C=Cc3ccccc32)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc(CN(CC2CCCO2)C(=O)c2ccco2)cc(OC)c1OC
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)cc1
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc(CN(CC2CCCO2)C(=O)c2cccs2)cc(OC)c1OC
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(N2CCN(CC(=O)c3ccc(O)c(C)c3O)CC2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| null | 0
| 1
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(C(=O)Nc1ccon1)N1C(=O)c2ccccc2S1(=O)=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | 0
| null | 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=Cc1ccc(Oc2cnccn2)cc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| null | 0
| 0
| 0
|
Cc1cc(C)c(CN2CCN(C(=O)CC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)CC2)c(C)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)NCCN1CCOCC1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccco1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)/C=C/c4ccco4)cc3n2)cc1
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| null | null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
N#Cc1c(-n2ncnc2-c2cccc(Br)c2)sc2c1CCCCC2
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| null | null | 0
| 1
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCc3cccs3)O2)c(=O)[nH]c1=O
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC1(C)OC(c2ccccc2)=C/C(=C\C=N\NC(=O)c2ccncc2)O1
| null | null | null | 0
| null | null | 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | 0
| 0
| null | 0
| 1
| 0
| 1
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(CNC(=O)CC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Brc1ccccc1C1N=C(c2ccccc2)NO1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 1
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| null | 0
| 1
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cc2[nH]c(CN(CCC(C)C)Cc3nc(=O)c4cc(OC)c(OC)cc4[nH]3)nc(=O)c2cc1OC
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)CSc1nsc(SCC(=O)OCC)c1C#N
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
COc1cc(C)ccc1OCCOCCN(C)Cc1ccccc1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CSc1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C1C2CCCCC2C(=O)N1c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1
| null | 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null |
CN(C)C(=O)Oc1ccc2nnc3ccnn3c2c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(O)c(C(=O)/C=C/c2cc3ccccc3o2)c1
| null | null | null | 1
| null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| null | 1
| 1
| null | null | null | null | 0
| 0
| null | null | 0
| 1
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCNC(=O)c1ccc(COc2cccc3ccccc23)o1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(c1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCO3
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
CCNc1nc(C#N)nc(N2CCOCC2)n1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 1
| null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | 0
| null | 1
| null | null | null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1cc(C)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(/C(C)=N/NC(=O)c2sccc2-n2cccc2)cc1
| 0
| 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)C1CCN(Cc2ccccc2C(F)(F)F)CC1
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
CC(C)C(NC(=O)C1CCCCC1)C(=O)NCCc1ccccc1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Oc1ccc(CN2CCN(c3ncccn3)CC2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| null | 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
O=S(=O)(c1ccc(Sc2nnc3ccccn23)nc1)N1CCOCC1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
O=C(Cn1cnnn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
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