SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=C(O)c1cc2ccccc2cn1 | tartarus_docking_1syh |
Cc1cc(=O)n(CCC(=O)O)c(N)n1 | tartarus_docking_1syh |
O=C(O)C(=O)Cc1cccc(Cl)c1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)CC(Cc1ccc2c(c1)OCO2)C(=O)O | tartarus_docking_1syh |
O=C(O)c1cc([N+](=O)[O-])cc(P(=O)(O)O)c1 | tartarus_docking_1syh |
O=C1c2cc([N+](=O)[O-])ccc2-c2c(Cl)cccc21 | tartarus_docking_1syh |
O=C(O)c1cccc2ccc(F)cc12 | tartarus_docking_1syh |
O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1C2 | tartarus_docking_1syh |
COc1cc2c(cc1O)C(=O)CCCC2 | tartarus_docking_1syh |
O=Nc1ccc2ccccc2c1N=O | tartarus_docking_1syh |
O=c1ccc2cccc([N+](=O)[O-])c2[nH]1 | tartarus_docking_1syh |
O=C(O)CCc1ccc2c(c1)C(=O)CC2 | tartarus_docking_1syh |
Nn1c(Cc2ccc([N+](=O)[O-])cc2)n[nH]c1=O | tartarus_docking_1syh |
Cc1nc2sc3c(c2c(=O)o1)CCOC3 | tartarus_docking_1syh |
Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21 | tartarus_docking_1syh |
Cc1cc(Cl)c2ccccc2c1N | tartarus_docking_1syh |
Cc1c(Cl)ccc2c(=O)c(C(=O)O)c[nH]c12 | tartarus_docking_1syh |
O=C(O)Cc1c(O)ccc2ccccc12 | tartarus_docking_1syh |
O=C(O)COc1ccc2ccccc2c1Cl | tartarus_docking_1syh |
O=C1C2CCCC3CCCC(C(=O)N1O)C32 | tartarus_docking_1syh |
CC(=O)Nc1c(C(=O)O)[nH]c(=O)[nH]c1=O | tartarus_docking_1syh |
Nc1nc2cc3[nH]ncc3cc2c(=O)[nH]1 | tartarus_docking_1syh |
O=C(O)c1cc2cccc(O)c2cc1O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2ccccc2c1O | tartarus_docking_1syh |
O=C(O)CC(CC(=O)O)c1ccc(F)cc1 | tartarus_docking_1syh |
O=C(O)/C=C/c1ccccc1C(=O)O | tartarus_docking_1syh |
NC(=O)NN1C(=O)c2ccccc2C1=O | tartarus_docking_1syh |
COc1ccccc1/N=C(\N)N=C(N)N | tartarus_docking_1syh |
Nc1cccc2cc(C(=O)O)ccc12 | tartarus_docking_1syh |
CC(=O)c1c(OC(C)C(=O)O)ccc2ccccc12 | tartarus_docking_1syh |
CC(=O)Nc1cccc(C(=O)O)c1O | tartarus_docking_1syh |
O=c1c2cn[nH]c2nc2ccccn12 | tartarus_docking_1syh |
O=C(O)C(=O)Cc1ccc(Br)cc1[N+](=O)[O-] | tartarus_docking_1syh |
Nc1ccc2c(c1)C(=O)c1cccc(C(=O)O)c1-2 | tartarus_docking_1syh |
O=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O | tartarus_docking_1syh |
NC(Cc1c[nH]c2ccccc12)C(=O)O | tartarus_docking_1syh |
NC(C(=O)O)c1ccc(C(=O)O)cc1 | tartarus_docking_1syh |
NNc1nnc(NN)c2ccccc12 | tartarus_docking_1syh |
O=C(O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2oc([N+](=O)[O-])cc2c1 | tartarus_docking_1syh |
O=Nc1c(=O)[nH]c(O)c2ccccc12 | tartarus_docking_1syh |
O=C1Nc2ccc3[nH]ncc3c2C1=O | tartarus_docking_1syh |
O=C(O)Cc1cc(=O)oc2cc(O)ccc12 | tartarus_docking_1syh |
COc1cc(/C=C/C(=O)O)cc([N+](=O)[O-])c1O | tartarus_docking_1syh |
NC(=O)c1ccccc1NC(=O)CCC(=O)O | tartarus_docking_1syh |
NC(Cc1ccc(C(=O)O)cc1)C(=O)O | tartarus_docking_1syh |
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ncn[nH]1 | tartarus_docking_1syh |
O=C(O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O | tartarus_docking_1syh |
COc1cc(C(=O)O)cc2c1OCC(=O)N2 | tartarus_docking_1syh |
NC(N)=NC1CCc2ccccc2C1 | tartarus_docking_1syh |
NC(Cc1ccccc1[N+](=O)[O-])C(=O)O | tartarus_docking_1syh |
O=C(O)CCC(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=[N+]([O-])c1cc2ccccc2nn1 | tartarus_docking_1syh |
Cc1nnc2c3ccccc3c(=O)[nH]n12 | tartarus_docking_1syh |
NC(=O)c1nnc2ccc(F)cc2c1N | tartarus_docking_1syh |
O=C(O)/C=C/c1ccc2ccccc2n1 | tartarus_docking_1syh |
Nc1ccc(C(=O)CCC(=O)O)cc1 | tartarus_docking_1syh |
Cc1ccccc1C(=O)CCC(=O)O | tartarus_docking_1syh |
O/N=C\c1cc2c3c(c1)CCCN3CCC2 | tartarus_docking_1syh |
O=C(O)CC/C(=N\O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=[N+]([O-])c1cc2n[nH]nc2c2nonc12 | tartarus_docking_1syh |
O=C1CC(c2c[nH]c3nccnc23)NN1 | tartarus_docking_1syh |
O=c1cc(C(F)(F)F)c2ccc(O)cc2o1 | tartarus_docking_1syh |
O=C(O)C1=CCCC(C(=O)O)CCC1 | tartarus_docking_1syh |
O=[N+]([O-])/C=C/c1cccc2ccccc12 | tartarus_docking_1syh |
Cc1c(C)c([N+](=O)[O-])c(/C=C/C(=O)O)c(C)c1[N+](=O)[O-] | tartarus_docking_1syh |
O=[N+]([O-])/C=C/c1ccc2ccccc2n1 | tartarus_docking_1syh |
O=[N+]([O-])/C=C/c1ccc(O)c([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=[As](O)(O)c1cccc2ccccc12 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)Cc1cccc([N+](=O)[O-])c1-2 | tartarus_docking_1syh |
O=C(O)CN1C(=O)C(=O)c2ccccc21 | tartarus_docking_1syh |
NC(Cc1ccc(B(O)O)cc1)C(=O)O | tartarus_docking_1syh |
Nc1cc2c(=O)[nH]c(=O)[nH]c2cc1Cl | tartarus_docking_1syh |
COc1cccc2c(CC(N)C(=O)O)c[nH]c12 | tartarus_docking_1syh |
Nc1cc2c3c(cccc3c1)C(=O)N2 | tartarus_docking_1syh |
Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1 | tartarus_docking_1syh |
O=c1c([N+](=O)[O-])c[nH]c2cc(Cl)ccc12 | tartarus_docking_1syh |
Oc1ccc(C2CCc3ccccc32)cc1 | tartarus_docking_1syh |
Nc1nnnn1CCc1ccccc1 | tartarus_docking_1syh |
O=C1c2cc([N+](=O)[O-])ccc2-c2c1cccc2[N+](=O)[O-] | tartarus_docking_1syh |
Nc1ccc(CC(=O)O)cc1S(=O)(=O)O | tartarus_docking_1syh |
CC(=O)n1cc2ccc([N+](=O)[O-])cc2n1 | tartarus_docking_1syh |
O=C(O)CCC(=O)c1ccc2c3c1CCCC3CC2 | tartarus_docking_1syh |
Cc1cccc(C[As](=O)(O)O)c1 | tartarus_docking_1syh |
[O-][n+]1onc2c1ccc1no[n+]([O-])c12 | tartarus_docking_1syh |
O=C1CC(N2C(=O)C3CCCCC3C2=O)C(=O)N1 | tartarus_docking_1syh |
NC(=O)C1CCc2nc(N)[nH]c(=O)c2C1 | tartarus_docking_1syh |
CSc1nc(NC2OCC(O)C(O)C2O)c(Br)c(=O)[nH]1 | tartarus_docking_1syh |
O=C1OCC(C(=O)c2cccc(O)c2)C1=O | tartarus_docking_1syh |
Cc1nnc2c3nnc(C)n3c3ccccc3n12 | tartarus_docking_1syh |
O=C(O)c1ccc(C2C(=O)N[C@@H]3CCC[C@H]23)cc1 | tartarus_docking_1syh |
O=c1[nH]n2c(=O)cc[nH]c2c1-c1nnns1 | tartarus_docking_1syh |
O=c1[nH]nc(-c2ccc3c(c2)OCO3)o1 | tartarus_docking_1syh |
Cc1ccc(C(=O)CCC(=O)O)cc1C | tartarus_docking_1syh |
O=C1OC(=O)C2c3ccccc3C=CC12 | tartarus_docking_1syh |
Nc1ncncc1-c1cccc2ccccc12 | tartarus_docking_1syh |
O=C(O)CNC1c2ccccc2CC1O | tartarus_docking_1syh |
O=C1Nc2cc(O)c(C(=O)O)cc2C1=O | tartarus_docking_1syh |
Nc1cc(F)cc2c1-c1ccc(F)cc1C2=O | tartarus_docking_1syh |
NC(=O)Nc1cc2[nH]c(=O)oc2cc1Cl | tartarus_docking_1syh |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.