Sanitized/Actives/actives_table_AMPC_sanitized.csv

SMILES,Molecule Name,Target Name,Type
O=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)c(O)c1,116_active,AMPC,Active
O=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1,113_active,AMPC,Active
O=C(O)c1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1,114_active,AMPC,Active
O=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl,115_active,AMPC,Active
O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)C(=O)O)C2=O,211_active,AMPC,Active
O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1,119_active,AMPC,Active
O=C(O)c1sccc1S(=O)(=O)Nc1ccccc1[N+](=O)[O-],118_active,AMPC,Active
O=C(O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1,104_active,AMPC,Active
O=C(O)c1sccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1,117_active,AMPC,Active
O=C(O)C[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(C(=O)O)cc2C1=O,208_active,AMPC,Active
O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1c[nH]c3ccccc13)C(=O)O)C2=O,210_active,AMPC,Active
O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1,106_active,AMPC,Active
O=C(O)c1sccc1S(=O)(=O)NCc1ccccc1,111_active,AMPC,Active
O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Br)cc1,112_active,AMPC,Active
O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(O)cc1)C(=O)O)C2=O,203_active,AMPC,Active
O=C(O)c1ccc2c(c1)C(=O)N([C@@H](Cc1cnn[nH]1)Cc1cccc3ccccc13)C2=O,207_active,AMPC,Active
O=C(O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1,109_active,AMPC,Active
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(C)s2)cc1,107_active,AMPC,Active
Cc1oc(C)c(S(=O)(=O)Nc2cccs2)c1C(=O)O,105_active,AMPC,Active
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1,103_active,AMPC,Active
O=C(O)c1ccc2c(c1)C(=O)N(C(Cc1ccc(O)cc1)C(=O)O)C2=O,201_active,AMPC,Active
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1,120_active,AMPC,Active
O=C(O)c1ccc2c(c1)C(=O)N(C(Cc1ccccc1)C(=O)O)C2=O,202_active,AMPC,Active
O=C(O)c1sccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1,121_active,AMPC,Active
O=C(O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1,108_active,AMPC,Active
O=S(=O)(O)CCCSc1nc2ccccc2s1,102_active,AMPC,Active
O=C(O)c1ccccc1C(=O)Nc1ccc(Cl)cc1,110_active,AMPC,Active
O=C(O)c1ccc2c(c1)C(=O)N(CCc1ccc(O)cc1)C2=O,206_active,AMPC,Active
O=C(O)CCSc1nc2ccccc2s1,101_active,AMPC,Active
Cc1ccoc1C(=O)Nc1ccccc1C(=O)[O-],309_active,AMPC,Active
O=C(O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,205_active,AMPC,Active
CC(C)CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,302_active,AMPC,Active
O=C([O-])c1cnc(-c2ccccc2)[nH]1,312_active,AMPC,Active
CC(C)CC(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O,213_active,AMPC,Active
CSCCC(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O,212_active,AMPC,Active
O=C1C=C(S(=O)(=O)[O-])[C@H]2C=CC=C[C@H]2C1=O,314_active,AMPC,Active
NS(=O)(=O)c1ccccc1C(=O)[O-],306_active,AMPC,Active
C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O,301_active,AMPC,Active
C[C@H](O)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O,304_active,AMPC,Active
Cc1nc2ccc(P(=O)([O-])[O-])cc2s1,319_active,AMPC,Active
CCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1,310_active,AMPC,Active
O=C([O-])[C@H]1CC(=O)N(c2ccccc2O)C1,308_active,AMPC,Active
C[P@](=O)(O)CC(=O)[O-],313_active,AMPC,Active
CCc1c(C)[nH]n(-c2nnn[n-]2)c1=O,303_active,AMPC,Active
Nc1onc(-c2ccc(Cl)cc2)c1C(=O)[O-],317_active,AMPC,Active
O=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O,307_active,AMPC,Active
O=C([O-])[C@@H]1CCCC[C@@H]1c1nnc(S)[nH]1,320_active,AMPC,Active
CC(=O)Nc1sccc1C(=O)[O-],322_active,AMPC,Active