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CCc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)cc2c1
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O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOCC1
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O=C1[C@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1Cc1ccccc1
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Nc1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)s1
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Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21
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Cc1cc(C)n(CCC(=O)N2c3ccccc3CC2C)n1
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| 0
| 0
| null | 0
| 0
| 0
| null | 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
| null | 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 |
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1
| 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
| null | 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
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 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 |
CCOC(=O)COc1ccc([N+](=O)[O-])cc1-c1ccnc2cc(-c3ccc(C)cc3)nn12
| 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
| 0
| 0
| 0
| 0
| null | 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
| 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 | 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)COc1ccc([N+](=O)[O-])cc1-c1ccnc2cc(-c3ccc(Cl)cc3)nn12
| null | null | null | null | null | 0
| null | null | 0
| 0
| null | 0
| null | null | null | null | 0
| null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | 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 | null | null | 0
| 0
| null | null | 0
| null | 0
| null | null | null | 1
| 1
| null | null | null | null | null | 0
| 0
| 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 |
CCCCNC(=O)c1cc2c(C)cc(C)cc2[nH]1
| null | null | null | 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
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 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
| 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
| 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 |
CC1Cc2ccccc2N1C(=O)CCn1cccn1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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
| 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 |
O=C(CCn1cccn1)Nc1ccc(-c2ccno2)cc1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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
| null | 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
| null | 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 |
Cc1ccc(C2=CC3=NC=C/C(=C4/C=C([N+](=O)[O-])C=CC4=O)N3N2)cc1
| null | null | null | null | null | 0
| null | null | 0
| 0
| null | 1
| 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
| null | 0
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | 0
| null | 0
| null | null | null | 1
| 1
| null | null | null | null | null | 0
| 0
| 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 |
CC(=O)N1CC(C)Oc2ccc(S(=O)(=O)NC(CC(=O)O)c3ccc(C)cc3C)cc21
| 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
| 1
| 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
| 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 |
COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCc1ccc(F)cc1)C2
| 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
| 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| 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 |
Cc1ccc2c(c1)-c1nc(-c3ccc4c(c3)NC(=O)CO4)cc(-c3ccccc3)c1CO2
| null | null | null | null | null | 0
| 0
| null | null | 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
| 0
| 0
| 0
| 0
| null | 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
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| null | null | null | 1
| 1
| null | null | null | null | null | 0
| 0
| 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 |
CC(=O)N1CC(C)Oc2ccc(S(=O)(=O)NC(CC(=O)O)c3ccccc3)cc21
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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
| 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 | 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 |
Cc1ccc2c(c1)-c1nc(-c3ccc4c(c3)NC(=O)CO4)cc(-c3ccc(Cl)cc3)c1CO2
| null | null | null | null | null | 0
| 0
| null | null | 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 | null | null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| null | null | null | 1
| 1
| null | null | null | null | null | 0
| 0
| 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 |
COCCCNC(=O)c1ccc2c(c1)NC(=O)C(C(C)C)N2
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | 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
| 0
| 0
| null | 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
| 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| null | null | null | null | null | 0
| 0
| 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 |
CCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)no1
| 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
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 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 | null | 0
| 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 |
CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(C(C)C)N2
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | null | null | null | null | null | null | 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
| 0
| 0
| null | 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
| 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 | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cn1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O
| 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
| 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 |
Cc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1F
| 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
| 0
| 0
| 0
| 0
| null | 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
| 0
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| null | null | null | null | 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 |
Nc1nn2cc(-c3ccc(Br)cc3)nc2c2ccccc12
| null | null | null | 0
| null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 1
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| null | 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(C)CC1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O
| null | null | null | null | null | 0
| 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | 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
| 0
| 0
| null | 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
| 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| null | null | null | 0
| 0
| 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 |
Cn1cc(S(=O)(=O)NC2CCCCCC2)c(=O)n(C)c1=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
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 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
| 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 |
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C
| 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
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 0
| null | 0
| 0
| null | null | null | 0
| 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1
| 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
| 0
| 0
| 0
| 0
| null | 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
| 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 | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
CC(C)c1cc(C(=O)NCc2ccccc2)no1
| null | null | null | null | null | null | 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 | null | 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | null | 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 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 | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
CNC(=O)[C@@H]1C[C@H](NC2CCCCCCC2)CN1Cc1cccc(OC)c1OC
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | 0
| null | null | null | null | null | null | null | null | 0
| 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 |
O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccncc1
| null | null | null | null | null | null | null | null | null | 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
| 0
| null | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)nc1
| null | null | null | null | null | null | null | null | null | 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
| 0
| null | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(Cn2nnnc2C(c2cc(OC)ccc2OC)N2CCC(C(N)=O)CC2)cc1
| 1
| 0
| 0
| null | 0
| 0
| 0
| null | 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
| 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
| null | 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
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
Nc1ccccc1-c1ccccc1N
| null | 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
| 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
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 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#CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1
| 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
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 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
| 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 |
CCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc2ccccc21
| null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 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
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| null | 1
| 1
| 0
| null | 0
| 0
| 0
| 1
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 0
| null | null | null | null | null | 0
| 0
| null | 0
| 1
| 1
|
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCOCC2)cc1
| 0
| null | null | 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 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 |
O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1
| 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
| 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
| 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 |
CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
| 0
| 0
| null | 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 | 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
| 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
| 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 |
COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC
| 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
| 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
| 0
| 0
| 0
| 0
| 0
| 0
| null | 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 |
COCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C
| 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
| 0
| 0
| 0
| 0
| 0
| 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| null | 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
| 0
| 0
| 0
| 0
|
COc1cc(NC(=O)CSc2nc3nc(C)c(Cc4ccc(C)cc4)c(C)n3n2)cc(OC)c1
| null | null | null | null | null | null | null | null | 0
| 0
| null | 0
| null | null | null | null | null | 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
| 0
| null | null | null | null | null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | null | 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 | null | 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccc(NC(=S)Nc2cc(C(=O)O)ccc2N2CC3CC(C2)c2cccc(=O)n2C3)cc1C
| 1
| null | null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| null | 0
| 1
| 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
| null | null | null | 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 |
Cc1ccc(CN(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1
| 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
| null | 0
| null | 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
| 0
| 0
| 0
| 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 | 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 |
CCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2ccccc21
| 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
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 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
| 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
| null | null | 0
| 0
| 0
|
O=C1C=CC=C/C1=C1/NN=C(c2ccc(C(F)(F)F)cc2)O1
| null | 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
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| null | 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 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
| 0
| 0
| 0
| 0
|
COc1cc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc(F)cc3)cc2)nc(OC)n1
| 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
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | 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
| 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
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4ccc(C)cc4)c(C)n3n2)cc1OC
| null | null | null | null | null | null | 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | 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
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 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 | null | 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 |
CCOc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1
| 0
| 0
| 0
| null | 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
| null | 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
| 0
| 0
| null | 0
| 0
| null | 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
| 0
| 0
| 0
| null |
O=C(O)C1CC=CCC1C(=O)Nc1cc(Cl)ccc1Cl
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 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
| 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
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
|
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1
| 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
| 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
| 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(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCc1ccco1
| 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
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 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
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1ccc2nc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1
| 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
| 1
| 0
| 0
| null | 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
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 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=C(c1ccco1)N1CCN(CC(O)COc2ccc3oc4ccccc4c3c2)CC1
| 0
| 0
| 0
| null | 0
| 0
| null | 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
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 1
| 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
| 0
| 0
| 0
| null |
Cc1nc(NC(=O)c2cccnc2Cl)sc1C
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 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 |
Cc1ccc(OC(C)C(=O)NNC2=c3cc([N+](=O)[O-])ccc3=NC2=O)cc1
| 0
| null | null | null | 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| null | 0
| null | 0
| null | 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
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | null | 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(C(c2c(C)[nH]n(C(N)=S)c2=O)C(C#N)C#N)cc1
| 1
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 1
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | null | 0
| 0
| null | 1
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| 1
| 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 |
CCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OCC)CCC(C)C3)cc1OC
| null | null | null | null | null | 0
| 0
| null | null | 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
| 0
| 0
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 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 | 0
| 0
| null | null | null | null | null | null | null | null | 0
| 0
| 0
| null | null | null | 0
| null | null | null | null | null |
COc1cccc(C(=O)c2cn(CC(=O)NCc3ccco3)c3nc(C)ccc3c2=O)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
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 1
| 1
| 1
| 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 | 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 | null |
CCC(CC)c1nnc(NC(=O)C2COc3ccccc3O2)s1
| 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
| 1
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 1
| 1
| null | 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 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 |
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | 0
| 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 |
COc1ccc(/C=N/NC(=O)c2cc[n+]([O-])cc2)cc1O
| 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
| 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
| 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 |
NC1=N/C(=N\NC(=O)c2ccc(Cl)cc2)c2ccccc21
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 1
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| null | 0
| 0
| null | 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 | 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 |
CCCCCCC(=O)Cc1cc(OC)c(OC)cc1/C=C(/C(C)=O)C(=O)OC
| 0
| null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| 0
| 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 | 0
| 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 0
| null | 0
| 1
| 0
| 0
| 0
| 1
| 0
| null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
|
Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1
| 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 | null | 0
| 0
| null | null | 0
| null | null | null | null | 0
| null | null | 0
| 0
| null | null | 0
| 0
| null | 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 | null | null | null | null | 0
| null | null | null | 0
| null | null | null | null | null | null | 0
| 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 |
COC(=O)NC(c1cccc(F)c1)[C@@]1(C(=O)OC)CCCC1=O
| 0
| null | null | null | null | null | 0
| null | 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 0
| 0
| 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 | 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 | 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
| null | null | null | null | null | 0
| 0
| null | null | 0
| 0
|
COC1CCC(c2nnsc2N2C(=O)C3=C(CCCC3)C2=O)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 | 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 |
COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
| 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
| 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 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
| 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 |
CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
| 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
| null | 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
| null | 0
| null | 0
|
COc1ccc(C(=O)/C(=C/N=O)NNc2ccc(F)cc2)cc1
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 1
| 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
| 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 |
Cc1ccc(N/C(N)=N/c2nc(C)cc(C)n2)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
| null | 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
| 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=C1NCCC/C1=N/Nc1ccc(F)cc1
| 1
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| null | 0
| 0
| 0
| 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
| 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
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCCCCCCC1=Cc2ccccc2C(CC(C)=O)N1C(=O)OC
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| null | null | 0
| 0
| 0
| 0
| 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 | 0
| 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 | null | null | null | null | null | null | null | null | 0
| null | null | null | null | null | null | null | null | null | null | null | 0
| null | null | null | 0
| 0
| null | 1
| 0
| null | null | 0
| null | null | 0
| 0
| null | null | null | 0
|
Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(C)oc2C)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
| 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
| 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 |
COC(=O)NC(/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccc(Cl)cc1
| 0
| null | null | null | null | null | 0
| null | 0
| 0
| 0
| 0
| null | null | null | null | null | 0
| null | null | null | 0
| 0
| 0
| 0
| 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 | 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 | 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
| null | 1
| 0
| null | null | 0
| null | null | 0
| 0
| 0
| null | 0
| 0
|
O=C(NCC1CCCCC1)c1ccc(Br)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
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| null | 0
| null | 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
| 0
| 0
| 0
| null | 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
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
O=C1CC(c2ccccc2)Cc2nc(NCc3ccco3)ncc21
| 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
| 0
| 1
| 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
| 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
| null | 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 0
| null | null | 1
| null | null | null | null | null | 1
| 0
| 0
| 0
| 0
| null |
CN(C)c1ccc(CNC(=O)C2(C)Cc3c(-c4cccc(C(F)(F)F)c4)ccnc3O2)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 | null | null | null | 0
| null | 0
| 0
| 0
| 0
| 0
| null | null | null | null | null | null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null | 1
| 0
| null | 1
| null | null | 0
| null | 0
| null | 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(NCc1ccc(C(F)(F)F)cc1)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
| 1
| 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 |
Cc1cc(NC(=O)CSc2cn(CC(=O)N(C(C)C)C(C)C)c3ccccc23)no1
| 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
| null | 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
| null | 0
| 0
| null | 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
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
C[S+](C)CC(=O)c1ccc2ccccc2c1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | 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 |
CC1(Cc2ccc(C(F)(F)F)nc2)C(=O)Nc2cc(-c3ccccc3Cl)ccc21
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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
| 0
| 0
| 0
| 0
| 0
| 0
| null | 1
| 0
| null | 0
| null | null | 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 |
N#Cc1cccc(NC(=O)c2cc(C3CCCCN3S(=O)(=O)c3cccc4cccnc34)on2)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 | null | null | 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 1
| 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 |
CCOC(=O)C1(C)CCN1C(=O)c1cccs1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 |
COc1cccc(NC(=O)C2(C)CCN2C(=O)CCC2CCCC2)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
| 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 |
CC(C)CC(NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C
| 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
| null | 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| null | 0
| null | 0
| 0
| 0
| 0
| null | null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| null | null | 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 | 0
| 0
| null | null | null | null | null | null | null | null | null | null |
COc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1
| 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
| 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
| 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 |
CCCNC(=O)C1(C)CCCN(C(=O)c2ccc3sccc3c2)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
| null | 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 |
Cn1cc(-c2coc3c(C(=O)NCc4cccnc4)cccc23)cn1
| null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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
| 1
| 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(Nc2ncnc3c2nc2n3CCCC2)cc1Cl
| null | null | null | null | null | null | null | 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
| 0
| 0
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 1
| null | null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | 0
| null | null | null | null | null |
CSc1ccc(CCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)cc1
| null | null | null | null | null | null | 0
| null | null | 0
| null | 0
| null | null | 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
| 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
| 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 | 0
| 0
| null | null | null | 0
| null | null | null | null | null |
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1
| 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
| 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
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 1
| null | 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 |
Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)CC1
| null | null | null | null | null | null | 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
| 0
| 0
| null | null | null | null | 0
| 0
| 0
| null | 0
| 0
| 0
| 0
| 0
| 0
| 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 | 1
| 1
| null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | 0
| 0
| null | null | null | 0
| null | null | null | null | null |
Cc1ccc(Nc2ncnc3c2nc2n3CCCC2)c(Br)c1
| null | null | null | null | null | null | 0
| null | 0
| 0
| null | 1
| 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
| 0
| null | null | null | null | null | 0
| 0
| 0
| null | 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | 0
| null | null | null | null | null | 0
| null | null | null | 0
| null | 1
| null | null | null | 0
| null | null | null | null | null | null | 0
| 0
| null | null | null | null | 0
| 0
| null | null | null | null | null | null | null | null | null | null | 1
| null | null | null | 1
| null | null | null | null | null |
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