SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
NC(=O)C(O)c1c[nH]c2ccccc12 | tartarus_docking_1syh |
O=C1NC(=O)C2(Cc3ccccc3C2)N1 | tartarus_docking_1syh |
COc1ccc2nc(C(=O)O)cc(C(=O)O)c2c1 | tartarus_docking_1syh |
O=C(O)c1ccc([C@@H]2C(=O)N(O)[C@@H]3C=CC[C@@H]32)cc1 | tartarus_docking_1syh |
O=C(O)/C=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
COc1cc2c(cc1OC)/C(=N/N)CCC2 | tartarus_docking_1syh |
O=C1c2ccccc2OCC1/C=N/O | tartarus_docking_1syh |
O=C(O)c1c[nH]c2c(Cl)cc(Cl)cc2c1=O | tartarus_docking_1syh |
Cn1c(=O)cc(CC(=O)C(=O)O)c2ccccc21 | tartarus_docking_1syh |
CC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 | tartarus_docking_1syh |
O=C1CC(Cc2n[nH]c3c2CCC3)CC(=O)N1 | tartarus_docking_1syh |
O=C1Nc2cccc3cc([N+](=O)[O-])cc1c23 | tartarus_docking_1syh |
C=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC | tartarus_docking_1syh |
O=C(O)CNC(=O)c1ccccc1C(=O)O | tartarus_docking_1syh |
COC(=O)c1cc(C(=O)O)c(=O)n2ccccc12 | tartarus_docking_1syh |
O=C(O)CC1Cc2ccccc2C1C(=O)O | tartarus_docking_1syh |
COc1cc(CC(N)C(=O)O)ccc1O | tartarus_docking_1syh |
O=C(O)c1cc(=O)c2ccccc2o1 | tartarus_docking_1syh |
O=C(O)c1ccccc1OP(=O)(O)O | tartarus_docking_1syh |
O=S(=O)(O)c1ccc(O)c2ncccc12 | tartarus_docking_1syh |
O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12 | tartarus_docking_1syh |
O=C(O)c1cc2ccccc2cc1O | tartarus_docking_1syh |
O=C(O)C1(O)c2ccccc2-c2ccccc21 | tartarus_docking_1syh |
O=C(O)c1ccc2c(c1)C(=O)OC2=O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2 | tartarus_docking_1syh |
O=C(O)CCCc1cccc2ccccc12 | tartarus_docking_1syh |
O=c1[nH]n2c(=S)[nH]nc2c2ccccc12 | tartarus_docking_1syh |
O=C1NC(=O)N(c2cccc(Cl)c2)C1=O | tartarus_docking_1syh |
COc1ccc2c(c1)C(O)NC(=O)O2 | tartarus_docking_1syh |
COc1ccc2c(C)cc(NN)nc2c1 | tartarus_docking_1syh |
Nc1[nH]c(=O)nc2sc3ccccc3c12 | tartarus_docking_1syh |
Cc1cc(=O)[nH]c2c(O)ccc([N+](=O)[O-])c12 | tartarus_docking_1syh |
Cc1cc(CC(N)C(=O)O)ccc1O | tartarus_docking_1syh |
NNc1ccc2cccc([N+](=O)[O-])c2n1 | tartarus_docking_1syh |
Cc1cc(Nc2ncn[nH]2)n2ncnc2n1 | tartarus_docking_1syh |
O=C(O)C1(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 | tartarus_docking_1syh |
O=C(O)CCC(=O)c1ccc2c3c(cccc13)CC2 | tartarus_docking_1syh |
CC(=O)Cc1nc2ccccc2[nH]c1=O | tartarus_docking_1syh |
O=c1[nH]c2cnn(-c3ccccc3)c2c(=O)n1O | tartarus_docking_1syh |
Cc1ccc2c(c1C)C(=O)C(=O)N2 | tartarus_docking_1syh |
O=C(O)c1ccc([As](=O)(O)O)c([N+](=O)[O-])c1 | tartarus_docking_1syh |
NC(=O)c1ccc([As](=O)(O)O)cc1N | tartarus_docking_1syh |
O=C(O)c1ccccc1C(=O)c1ccc(O)cc1O | tartarus_docking_1syh |
Cc1ccc2c(C(=O)O)cccc2c1 | tartarus_docking_1syh |
O=C(O)Cn1c(=O)n(CC(=O)O)c2ccccc21 | tartarus_docking_1syh |
NC(CS(=O)(=O)c1ccc(F)cc1)C(=O)O | tartarus_docking_1syh |
O=c1cc2[nH]c3ccccc3c(=O)n2[nH]1 | tartarus_docking_1syh |
c1ccc(CNc2nn[nH]n2)cc1 | tartarus_docking_1syh |
O=C(O)/C=C/c1ccccc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)C[C@@H]1Cc2ccccc2[C@H]1O | tartarus_docking_1syh |
Cc1cn(C2CCC(/C=N\O)O2)c(=O)[nH]c1=O | tartarus_docking_1syh |
COc1c(C)c2c(c(O)c1C/C=N\O)C(=O)OC2 | tartarus_docking_1syh |
Cc1nc2[nH]c(=O)[nH]c(=O)c2nc1C | tartarus_docking_1syh |
CC/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)O | tartarus_docking_1syh |
O=[N+]([O-])/C=C/c1cc2ccccc2[nH]1 | tartarus_docking_1syh |
Cc1cc(=O)[nH]c2cc(O)c(C(=O)O)cc12 | tartarus_docking_1syh |
CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)O | tartarus_docking_1syh |
Nc1ncc2ncn(C3CCC(CO)O3)c2n1 | tartarus_docking_1syh |
NC(CCC(=O)O)c1ccccc1 | tartarus_docking_1syh |
O=C(O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)c1c(O)ccc2ccccc12 | tartarus_docking_1syh |
Cc1ccc(C)c2c(CC(=O)O)c[nH]c12 | tartarus_docking_1syh |
Nc1nc2cc(Cl)cc(S(=O)(=O)O)c2o1 | tartarus_docking_1syh |
Cn1cnc2c1c(=O)n(CCC(=O)O)c(=O)n2C | tartarus_docking_1syh |
NN(CC(=O)O)Cc1ccccc1 | tartarus_docking_1syh |
Cc1ccc(C)c(C(=O)CCC(=O)O)c1 | tartarus_docking_1syh |
O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
COc1cc(C(CC(=O)O)C(=O)O)c([N+](=O)[O-])cc1OC | tartarus_docking_1syh |
c1ccc(CCc2nn[nH]n2)cc1 | tartarus_docking_1syh |
O=C(O)c1cc([N+](=O)[O-])ccc1[As](=O)(O)O | tartarus_docking_1syh |
NC(=O)c1ccc([As](O)O)cc1N | tartarus_docking_1syh |
O=C(O)c1cc2cnccc2[nH]c1=O | tartarus_docking_1syh |
O=C(Cn1ccc(=O)[nH]c1=O)c1ccc([N+](=O)[O-])o1 | tartarus_docking_1syh |
COc1cc(CC(=O)O)c(OC)cc1CC(=O)O | tartarus_docking_1syh |
COc1ccc(C)cc1C(=O)CCC(=O)O | tartarus_docking_1syh |
Cc1ccc(CCC(=O)O)c2ccccc12 | tartarus_docking_1syh |
Cc1c(C)c2ccc(N)cc2[nH]c1=O | tartarus_docking_1syh |
CC(O)C[As](=O)(O)c1cccc(Cl)c1 | tartarus_docking_1syh |
CC(Cc1ccc(C(=O)O)cc1)C(=O)O | tartarus_docking_1syh |
O=[As](O)(O)Cc1cccc(F)c1 | tartarus_docking_1syh |
O=C(O)Cn1c(=O)ccc2ccccc21 | tartarus_docking_1syh |
Cn1ncc2c(=O)nc3c(C#N)n[nH]n3c21 | tartarus_docking_1syh |
CC(=O)OCCC/C(=C\c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] | tartarus_docking_1syh |
O=C1OC(=O)C(c2ccccc2)=C1O | tartarus_docking_1syh |
O=c1cc(O)c2c(O)cc(O)cc2o1 | tartarus_docking_1syh |
O=c1cc(O)c2c(ccc3ccccc32)[nH]1 | tartarus_docking_1syh |
O=c1cc2cc(O)[nH]c(=O)c2c(O)[nH]1 | tartarus_docking_1syh |
CC1Nc2nc(N)[nH]c(=O)c2NC1C | tartarus_docking_1syh |
Nc1nc2c(c(=O)[nH]1)CC(C(=O)O)CC2 | tartarus_docking_1syh |
COc1cc(O)c2ncccc2c1O | tartarus_docking_1syh |
Nc1nc2c(nnn2Cc2ccco2)c(=O)[nH]1 | tartarus_docking_1syh |
Cc1nc2c(=O)[nH]c(N)nc2[nH]c1=O | tartarus_docking_1syh |
O=C(O)c1nn2c(=O)[nH]c3ccccc3c2c1C(=O)O | tartarus_docking_1syh |
O=c1[nH]nnc2c(Cl)cc(Cl)cc12 | tartarus_docking_1syh |
NC(CCn1cnc2c(=O)[nH]cnc21)C(=O)O | tartarus_docking_1syh |
Cn1c(=O)c2[nH]c(NN=O)nc2n(C)c1=O | tartarus_docking_1syh |
NC(=O)C1CCc2nc(N)nc(N)c2C1 | tartarus_docking_1syh |
Cc1cc(C(=O)O)c(N)c([N+](=O)[O-])c1 | tartarus_docking_1syh |
CC1(NC(N)=O)Cc2cccc3cccc1c23 | tartarus_docking_1syh |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.