SMILES,Molecule Name,Target Name,Type
S(Nc1c(O)cc(C(=O)O)cc1)(c2c(scc2)C(=O)O)(=O)=O,116_active,AMPC,Active
S(Nc1ccc(C(=O)O)cc1)(c2ccsc2C(=O)[O-])(=O)=O,113_active,AMPC,Active
S(Nc1cccc(c1)C(=O)O)(c2ccsc2C(=O)[O-])(=O)=O,114_active,AMPC,Active
S(Nc1ccc(C(=O)O)c(c1)Cl)(c2ccsc2C(=O)[O-])(=O)=O,115_active,AMPC,Active
OC(=O)[C@@H](CC1=CC=CC2=CC=CC=C12)N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O,211_active,AMPC,Active
S(Nc1cc(Cl)c(Cl)cc1)(c2c(scc2)C(=O)O)(=O)=O,119_active,AMPC,Active
S(Nc1c(N(=O)=O)cccc1)(c2c(scc2)C(=O)O)(=O)=O,118_active,AMPC,Active
s1ccc(S(=O)(Nc2c(N3CCCCC3)cccc2)=O)c1C(=O)O,104_active,AMPC,Active
S(Nc1cc(N(=O)=O)ccc1)(c2c(scc2)C(=O)O)(=O)=O,117_active,AMPC,Active
OC(=O)C[C@@H](CC1=C2C=CC=CC2=CC=C1)N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O,208_active,AMPC,Active
OC(=O)[C@@H](CC1=CNC2=CC=CC=C12)N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O,210_active,AMPC,Active
s1c(C(=O)O)c(S(=O)(Nc2ccc(Cl)cc2)=O)cc1,106_active,AMPC,Active
S(=O)(c1c(C(=O)O)scc1)(NCc2ccccc2)=O,111_active,AMPC,Active
S(=O)(=O)(c1c(C(=O)O)scc1)Nc2ccc(Br)cc2,112_active,AMPC,Active
OC(=O)[C@@H](CC1=CC=C(O)C=C1)N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O,203_active,AMPC,Active
OC(=O)C1=CC2=C(C=C1)C(=O)N([C@@H](CC1=CN=NN1)CC1=C3C=CC=CC3=CC=C1)C2=O,207_active,AMPC,Active
S(=O)(c1c(C(=O)O)cccc1)(Nc2ccc(Cl)cc2)=O,109_active,AMPC,Active
s1c(cc(C(=O)O)c1C)NS(c2ccc(C)cc2)(=O)=O,107_active,AMPC,Active
s1cccc1NS(c2c(C(=O)O)c(oc2C)C)(=O)=O,105_active,AMPC,Active
s1c(C(=O)O)c(S(=O)(Nc2ccc(S(=O)(=O)N)cc2)=O)cc1,103_active,AMPC,Active
OC(=O)C(CC1=CC=C(O)C=C1)N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O,201_active,AMPC,Active
S(Nc1cc(Cl)c(Cl)cc1)(c2c(scc2)C(OC)=O)(=O)=O,120_active,AMPC,Active
OC(=O)C(CC1=CC=CC=C1)N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O,202_active,AMPC,Active
s1c(C(=O)O)c(cc1)NS(=O)(=O)c2cccc(N(=O)=O)c2,121_active,AMPC,Active
s1ccc(NS(c2ccc(cc2)Cl)(=O)=O)c1C(=O)O,108_active,AMPC,Active
C(CS(=O)(=O)O)CSc1sc2ccccc2n1,102_active,AMPC,Active
C(=O)(c1c(cccc1)C(=O)O)Nc2ccc(Cl)cc2,110_active,AMPC,Active
OC(=O)C1=CC2=C(C=C1)C(=O)N(CCC1=CC=C(O)C=C1)C2=O,206_active,AMPC,Active
c1cccc2nc(sc12)SCCC(=O)O,101_active,AMPC,Active
Cc1ccoc1C(=O)Nc2ccccc2C(=O)[O-],309_active,AMPC,Active
OC(=O)C(CC1=CC=CC=C1)N1C(=O)C2=C(C=CC=C2)C1=O,205_active,AMPC,Active
CC(C)CNC(=O)[C@@H]1[C@H]2C[C@@H]([C@@H]1C(=O)[O-])C=C2,302_active,AMPC,Active
c1ccc(cc1)c2[nH]c(cn2)C(=O)[O-],312_active,AMPC,Active
CC(C)CC(N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O)C(O)=O,213_active,AMPC,Active
CSCCC(N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O)C(O)=O,212_active,AMPC,Active
C1=C[C@H]2[C@@H](C=C1)C(=O)C(=O)C=C2S(=O)(=O)[O-],314_active,AMPC,Active
c1ccc(c(c1)C(=O)[O-])S(=O)(=O)N,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]([C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O)O,304_active,AMPC,Active
Cc1nc2ccc(cc2s1)P(=O)([O-])[O-],319_active,AMPC,Active
CCc1ccc(cc1)N2C[C@H](CC2=O)C(=O)[O-],310_active,AMPC,Active
c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)[O-])O,308_active,AMPC,Active
C[P@@](=O)(CC(=O)[O-])O,313_active,AMPC,Active
CCc1c([nH]n(c1=O)c2[n-]nnn2)C,303_active,AMPC,Active
c1cc(ccc1c2c(c(on2)N)C(=O)[O-])Cl,317_active,AMPC,Active
c1ccc(cc1)[C@H]2C(=O)N(C(=O)O2)CC(=O)[O-],307_active,AMPC,Active
C1CC[C@H]([C@H](C1)c2[nH]c(nn2)S)C(=O)[O-],320_active,AMPC,Active
CC(=O)Nc1c(ccs1)C(=O)[O-],322_active,AMPC,Active