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c1ccc(-c2cc3c(nc2-c2ccccc2)CCNC3)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 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | 0 | null | null | 0 | 0 | 0 | null | 0 | 0 |
c1ccc2c(c1)Cc1cc(CN3CCOCC3)ccc1-2 | 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 | 1 | 0 | 0 | 0 | 0 | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | null | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | null | 0 | null | null | 0 | null | null | 0 | null | null | null | 0 | null | 0 | 0 | null |
C=CC(=O)OCCCC | 0 | null | 0 | null | 0 | 0 | null | null | null | 0 | 0 | 0 | null | null | null | null | null | 0 | null | null | null | null | 0 | null | 0 | 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 | null | null | null | null | 0 | 0 | null | 0 | 0 | 0 | null | null | 0 | null | null | 0 | null | null | 0 | 0 | null | null | 0 | 0 |
O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@H]3OC(CO)C(O)C(O)C3O)cc(O)c12 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | null | null | null | null | 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 | 0 | 0 | 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 | 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 | 0 | 0 | null | 0 | 0 | 0 | null | null | 0 | null | null | null | null | null | 0 | null | null | 0 | null | 0 |
O=C(COc1ccc(Cl)cc1Cl)NCc1ccncc1 | null | 0 | 0 | null | 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 | 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 | 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 | null | null | null | 0 | null | null | 0 | null | null | 0 | null | null | 0 | 0 | 0 | 0 | 0 | null |
N#Cc1nc(-c2ccccc2)cc(-c2ccccc2)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 | null | null | null | null | 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 | null | 0 | null | null | null | null | null | null | null | null | null | 0 | null | null | null | null | null | null | null | null | null | null | 0 | null | null | null | 0 | 0 | null | 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 |
CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c3ccccc3n(C)c2n1 | 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 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 1 | 1 | 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 |
NC(=O)NC(=O)C(c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)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 | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
NC(=O)NC(=O)C(Nc1ccc2c(c1)CCC2)c1ccccc1 | 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 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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(COc1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1 | 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 | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 1 | 1 | null | 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)c1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 | 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 | 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 | 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 | 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 |
Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C1CC1 | 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 | 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 | 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 | null | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CCOC(=O)C1CCCN(C(=O)Cn2ncc3c(C)n(Cc4ccccc4Cl)c(C)c3c2=O)C1 | 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 | 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 | 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 | 1 | 1 | 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 |
COc1ccc(NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c(OC)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 | 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 | 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 |
Cc1cccc(Cn2nc(C)n3c(cc4cc(C)ccc43)c2=O)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 | 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 |
O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2)Nc1ccccc1Cl | 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 | null | 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 | 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 | 0 | 0 | null | null | null | null | null | null | null | null | null | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
CCc1cccc(C)c1NC(=O)C(CC)n1ncn2c(cc3cc(C)ccc32)c1=O | 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 | null | 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 | null | 0 | null | null | null | null | 0 | null | null | null | null | null |
CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccccc1Cl | 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 | null | 0 | null | null | null | null | null | null | 0 | 0 | 0 | null | 0 | null | null | null | null | null | 0 | null | null | null | 0 | null | 0 | 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 |
Cc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3ccccc3n12 | 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 | null | 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 | null | null | 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 |
COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | null | null | null | null | 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 | 0 | 0 | null | null | null | null | null | null | null | null | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
C[C@]12CCC(=O)C=C1CCC1C2C(O)C[C@]2(C)C1CC[C@]2(O)C(=O)CO | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | null | null | null | 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 | 0 | 0 | null | null | null | null | null | null | null | null | 0 | null | null | null | null | null | null | 0 | 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 | 0 | 0 | null | 0 | null | null | null | 0 | 0 | null | null | null | null | null | null | 0 | 0 | null | 0 | 0 | 0 | null | null | 0 | null | null | null | null | null | 0 | null | null | 0 | null | 0 |
O=C(NC1=NCCS1)c1ccc(Cl)c(Cl)c1 | 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 | 1 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 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 | 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 |
Cc1c2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c(C)n1Cc1ccccc1Cl | 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 | null | null | 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 |
O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)Nc1ccccc1F | 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 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | null | null | null | 0 | 0 | null | null | null | null | 0 | null | null | null | null | 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 |
CCOCCn1c(=O)c2c(nc3n2CC(C)CN3Cc2ccccc2)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 | 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 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 1 | 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=C(C)Cn1c(=O)c2c(nc3n2CC(C)CN3Cc2ccccc2)n(C)c1=O | 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 | 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 | null | 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 |
Cc1ccc(-n2nc(C)c3c(C(=O)NCc4ccccc4)cc(C4CC4)nc32)cc1 | 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 | 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 |
CN(C)c1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1 | null | null | null | null | null | null | 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 | null | 0 | null | 1 | 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 | 0 | 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 | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
O=C(CCc1ccccc1)NCc1ccccn1 | 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 | 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 | 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=C(O)c1cccc(-n2cnnn2)c1 | 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 | 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 | 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 |
CC1(C)Cc2nc(Cl)c(C(=O)O)cc2CO1 | 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 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 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 | null | 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 |
CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)oc(=O)n2C | 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 | 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 |
CC1(C)Cc2nc(N3CCCC3)c(C#N)cc2CO1 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 |
CCOc1ccc(C2NCCc3cc(OC)c(OC)cc32)cc1OC | 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 | 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 | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
COc1cccc(C(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 | 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 | null | 0 | 0 | 0 | null | 0 | 0 | 1 | 1 | null | 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 | null | 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 | null | null | null | 0 | null | null | 0 | null | null | 0 | null | null | 0 | 0 | null | 0 | null | 0 |
COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 | null | null | null | null | null | null | 0 | null | 0 | 0 | null | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 |
Brc1ccc(OCCn2ccnc2)cc1 | 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 | 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 | null | 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 | 0 | 0 | 0 | null |
CCCc1nc(SCC(=O)O)c2sc(=S)n(-c3ccccc3)c2n1 | 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 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | null | null | 0 | null | null | 0 | 0 | 0 | null | 0 | 0 |
O=C(O)c1ccccc1SCc1nc2ccccn2c1Br | 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 | null | 0 | 0 | null | 0 | null | 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 | null | 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)NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O | null | null | null | null | null | 0 | 0 | null | 0 | 0 | null | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | null | null | null | null | 0 | null | null | null | null | null |
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)c23)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 | null | 0 | null | null | null | null | null | 0 | null | null | null | 0 | null | 0 | null | null | null | null | 1 | 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 |
Cc1ccccc1NC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O | 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 | null | 0 | null | null | null | null | null | null | null | null | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
CCCCCCSc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OC | 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 | 1 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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(Cl)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O | 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 | null | 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 | 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 | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
COc1cc(OC)c(N(C)C(=O)c2cc3c(=O)oc4ccccc4c3s2)cc1Cl | 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 | null | 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 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)cc1OC | 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 | 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 | 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 | null | null | null | null | 0 | null | null | null | null | null |
CCOC(=O)c1sc2nc(C)n(CC(=O)Nc3cccc(Cl)c3)c(=O)c2c1C | 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 | 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 | 0 | 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 |
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccc(C)cc4Br)c(=O)c23)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 | 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 |
CCOc1sc2nc(C)n(CC(=O)Nc3cccc(C)c3)c(=O)c2c1C | 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 | null | 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 | 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 |
O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1)c1cccnc1 | 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 | 0 | null | null | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | null | null | null | 1 | null | 0 | null | 0 | 0 | null | 1 | null | null | null | null | 1 | 0 | 1 | null | 1 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 1 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 1 | 0 | null | 1 | null | 0 | null | 0 | 0 | 0 | null | 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 |
CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1C | 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 | 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 | 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(C)n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)nc2n1 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 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(C(=S)Nc3cccc(C)c3)CC2)cc1 | 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 | 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 | 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 | 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 |
CCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 | 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 | 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 | 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 |
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1 | 0 | null | null | 0 | null | 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 | null | 0 | 0 | 0 | null | 0 | 0 | 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 | 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 | 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(COC(=O)c1cccc(Br)c1)NCCc1ccccc1 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 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 | 0 | null | null | null | null | null | null | null | null | null | null | null |
CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CC2CCC(C(C)(C)C)CC2)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 | 0 | 0 | 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 | 0 | 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 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(C)(C)OC(=O)C(Cl)(C(=O)OC(C)(C)C)c1ccc2nnnn2n1 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 1 | 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 | 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 | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | null | null | null | null | 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 | null | null |
Cc1c(Cl)cccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O | 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 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)c1C | 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 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 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 | null | 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(NC(=O)C2=C(C(=O)O)CCCC2)cc1Br | 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 | null | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCC2 | null | null | null | null | null | null | null | null | null | null | null | null | 0 | 0 | null | 0 | 0 | 0 | null | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | null | 0 | 0 | 0 | 0 | null | 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 | 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 |
Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C | 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 | 0 | null | 0 | null | null | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | null | 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 | 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 | null | null | null | null | null | null | null | null | null | null | null |
COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O | null | 0 | 0 | 0 | 0 | 0 | 1 | 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 | null | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 1 | 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 | 0 | 0 | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | null | null | null | 0 | null | null | 0 | null | null | 0 | 0 | 0 | null | 0 | 0 |
O=C(/C(=N\Nc1ccc(Br)cc1)Sc1nnnn1-c1ccccc1)c1ccccc1 | 1 | 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 | null | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 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 | 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#CC(C(=O)Nc1cccc(Cl)c1)=C1Nc2ccccc2N1 | 0 | 0 | 0 | null | 0 | 0 | 0 | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | null | 0 | 0 | 0 | null | null | 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 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 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 |
CCN1CCN(C(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)CC1 | 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 | 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 | 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 |
Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 | null | null | null | 0 | null | null | 0 | null | null | 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 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 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 |
O=C(O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)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 | 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 |
Cc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C(=O)NC2CC2)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 | 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 | 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(S(=O)(=O)N2CCCC2CNC(=O)c2ccc(F)c(F)c2)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 | 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 | 0 | 1 | null | 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 |
NC(=O)C1(Nc2ccccc2)CCCC1 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | 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 | 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 |
CC(=O)Oc1ccc2nc(-c3ccco3)oc(=O)c2c1 | 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 | null | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | null | 0 | 0 | null | 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 | null | 0 | 0 | null | null | 1 | 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 |
CCOc1ccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)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 | 0 | 0 | null | null | null | null | 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 | null | 0 | null | 0 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | null | null | null | 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 |
CCCCC(=O)NC(NC(=S)N1CCCCCC1)C(Cl)(Cl)Cl | 0 | 0 | 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 | 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 | null | 0 | null | 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=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccc(F)cc2)CC1 | null | 0 | null | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 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 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 1 | 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 |
c1ccc(-c2onc3cc4c(cc23)OCCO4)cc1 | null | 0 | 0 | null | 0 | 1 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | 0 | 1 | 0 | 0 | 0 | 0 | 1 | null | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | null | null | null | 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 | 1 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | null | null | 1 | null | null | null | null | null | null | null | null | null | 0 | null | null | null | null |
Cc1ccc(C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1[N+](=O)[O-] | 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 | null | 0 | null | 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 | 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 | 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 |
O=C(Nc1ccon1)Nc1ccc(F)cc1F | 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 | 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 |
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 | 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 | null | 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 | null | 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 | 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=C(c1ccc(F)cc1)N1CCN(C2CC3CCC2C3)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 | 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 | 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 | null | 0 | 0 | 0 | 0 |
Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)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 | null | 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 | 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 |
COc1ccc(NC(=S)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 | 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 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 0 | null | 0 | 1 | 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 | null | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | 1 | 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 |
CNC(=O)Nc1ccc(S(N)(=O)=O)cc1 | 0 | null | null | 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 | 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 | 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(/N=C(\N(C)C)P(=O)(N(C)C)N(C)C)c(C)c1 | 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 | 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 | 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 |
CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)CC1 | 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 | 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 | null | 1 | 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)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=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 | null | 0 | null | 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 | 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 | null | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 | null | 0 | 0 | null | 0 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 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 | null | 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 | 0 | 0 | 1 | 0 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 1 | 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 |
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 | 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 | 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 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | null | null | null | null | null | null | 0 | 0 | 0 | null | null | null | 0 | null | null | null | null | null |
Cn1ccnc1C(=O)c1ccccc1Cl | 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 | 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 |
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCc1ccco1 | 0 | 0 | 0 | null | 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 | 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 | null | 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 | null | 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 | 0 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
CC(=O)Nc1nc(C)cs1 | 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 | 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 | 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 | null | null | null | null | null | null | null | null | null | null |
CCC1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(=O)OC)C1 | 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 | null | 0 | null | null | 0 | null | 0 | 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 |
CCn1c(C(=O)N2CCc3ccccc3C2)cc2oc3ccccc3c21 | null | 0 | 0 | null | 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 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | 0 | null | 1 | null | 0 | 0 | null | 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 | 1 | 0 | null | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | null | 0 | null | null | 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 |
COc1ccc(Cl)cc1/C=C1/C(=O)ON=C1C | 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 | null | 0 | 0 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | 0 | null | null | 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 | null | null | null | 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 |
Cc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3)n2)c1 | 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 | null | 0 | 0 | 0 | null | null | 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 | null | 0 | 0 | 0 | 0 | 0 | null | 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 |
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 | 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 | 0 | null | 0 | null | null | null | null | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 0 | null | null | 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 | null | null | 0 | 0 | 1 | 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 |
Cc1cc(NC(=O)C2CCCCC2)ncc1NC(=O)c1ccccn1 | 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 | null | 0 | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | null | 0 | 0 | null | 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 | 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 |
CCOC(=O)N/N=C\c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 | 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 | null | 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 | 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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