SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
CC(=O)c1ccc2c(c1)NC(=O)CC(C)N2 | tartarus_docking_1syh |
Cc1cc(=O)[nH]c2cc(NN)ccc12 | tartarus_docking_1syh |
[O-][n+]1onc2cc(C3CCCCC3)ccc21 | tartarus_docking_1syh |
NCCn1[nH]c(=O)c2cccnc2c1=O | tartarus_docking_1syh |
O=C(O)c1ccc(N2C(=O)C=CC2=O)cc1 | tartarus_docking_1syh |
O=C(O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O | tartarus_docking_1syh |
O=C(O)c1ccc(C(=O)O)c(O)c1 | tartarus_docking_1syh |
O=C(O)CCC(=O)c1ccc(O)cc1 | tartarus_docking_1syh |
COc1cc2oc(=O)cc(C)c2cc1O | tartarus_docking_1syh |
C=C(C(=O)O)c1cccc2ccccc12 | tartarus_docking_1syh |
O=C(O)C(C(=O)O)c1cccc2ccccc12 | tartarus_docking_1syh |
Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 | tartarus_docking_1syh |
Nc1cccc(-c2nn[nH]n2)c1 | tartarus_docking_1syh |
O=C(O)c1ccccc1C(=O)NO | tartarus_docking_1syh |
O=C(O)c1cnc2cccc([N+](=O)[O-])c2c1 | tartarus_docking_1syh |
NC(=O)NOCc1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1 | tartarus_docking_1syh |
O=C(O)C1=CCCc2ccc(F)cc21 | tartarus_docking_1syh |
O=C(O)c1cc(C(=O)O)[nH]c(=O)n1 | tartarus_docking_1syh |
COc1cc2c(cc1OC(C)=O)C(=O)CCCC2 | tartarus_docking_1syh |
O=C(O)CC1=C(CC(=O)O)c2ccccc2CCC1 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1-2 | tartarus_docking_1syh |
O=C(O)C(CCc1cccc(Cl)c1)C(=O)O | tartarus_docking_1syh |
O=c1ccc2ccc(OP(=O)(O)O)cc2o1 | tartarus_docking_1syh |
C[N+](C)(Cc1cccc(Cl)c1)c1nnn[n-]1 | tartarus_docking_1syh |
O=S(=O)(O)c1ccc(O)c2ncc(Cl)cc12 | tartarus_docking_1syh |
O=C(O)c1ccc2c(c1)OCCOC2=O | tartarus_docking_1syh |
Nc1cc2ccncc2c2ccccc12 | tartarus_docking_1syh |
O=S(=O)(NO)c1cccc(S(=O)(=O)NO)c1 | tartarus_docking_1syh |
O=C(NO)c1cc(Cl)c(C(=O)NO)cc1Cl | tartarus_docking_1syh |
NC(C(=O)O)C(O)c1ccc2c(c1)OCO2 | tartarus_docking_1syh |
O=C(O)c1cc2c3c(c1)CCCN3CCC2 | tartarus_docking_1syh |
NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O | tartarus_docking_1syh |
NC1C(=O)Nc2cc(O)c(C(=O)O)cc21 | tartarus_docking_1syh |
Nc1ncn2c(n1)nc1ccccc12 | tartarus_docking_1syh |
Nc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(Cl)c1 | tartarus_docking_1syh |
CS(=O)(=O)c1nc2[nH]c(=O)[nH]c2c(=O)[nH]1 | tartarus_docking_1syh |
NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O | tartarus_docking_1syh |
O=C(O)c1c[nH]c2cc(Cl)ccc2c1=O | tartarus_docking_1syh |
CC(=O)c1ccc2ccccc2c1O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)oc1ccccc12 | tartarus_docking_1syh |
O=[N+]([O-])c1cc([N+](=O)[O-])c2c([N+](=O)[O-])cccc2c1 | tartarus_docking_1syh |
COc1cccc(/N=C(\N)N=C(N)N)c1 | tartarus_docking_1syh |
CC(=O)N1CC(=O)c2cc([N+](=O)[O-])ccc21 | tartarus_docking_1syh |
O=C(O)Cc1cc2cccc([N+](=O)[O-])c2[nH]1 | tartarus_docking_1syh |
CC1NNC(=O)C1c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
O=C(O)CCC(=O)c1cccc(O)c1 | tartarus_docking_1syh |
NCCc1c[nH]c2ccc(OC(=O)C(=O)O)cc12 | tartarus_docking_1syh |
NC(=O)CC(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=C1CCC2(Cc3ccccc3C2=O)O1 | tartarus_docking_1syh |
O=C(O)CCC(=O)CCc1ccccc1C(=O)O | tartarus_docking_1syh |
CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23 | tartarus_docking_1syh |
O=C(O)CC(Cc1ccccc1)C(=O)O | tartarus_docking_1syh |
NC(Cn1ccc(=O)[nH]c1=O)C(=O)O | tartarus_docking_1syh |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | tartarus_docking_1syh |
O=C(O)c1ccc2ccccc2c1 | tartarus_docking_1syh |
O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1 | tartarus_docking_1syh |
O/N=C1/Cc2cccc3cccc1c23 | tartarus_docking_1syh |
CC(=O)Oc1[nH]c(=O)c2cccc3c2c1CCC3 | tartarus_docking_1syh |
CC(=O)N(O)c1ccc(C(N)=O)cc1 | tartarus_docking_1syh |
O=[N+]([O-])c1cc2c(ccc3occc32)o1 | tartarus_docking_1syh |
O=C(O)c1cc2ccccc2[nH]c1=O | tartarus_docking_1syh |
Nc1[nH]c(=O)ncc1-c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
O=c1ncc2ccc([N+](=O)[O-])cc2[nH]1 | tartarus_docking_1syh |
Oc1ccc(CNc2nn[nH]n2)cc1 | tartarus_docking_1syh |
O=C(O)c1cc2ccc(O)cc2oc1=O | tartarus_docking_1syh |
O=C1c2cccc3ccc(Cl)c(c23)C(=O)N1O | tartarus_docking_1syh |
O=[N+]([O-])/C=C/c1ccc(Cl)cc1[N+](=O)[O-] | tartarus_docking_1syh |
Nc1nnc2c(n1)[nH]c1ccccc12 | tartarus_docking_1syh |
O=C(O)CCc1c(F)c(F)c(F)c(F)c1F | tartarus_docking_1syh |
O=C1c2cc(F)ccc2-c2c(F)cc([N+](=O)[O-])cc21 | tartarus_docking_1syh |
O=C(O)CCC1=Nc2cccc3cccc(c23)NC1=O | tartarus_docking_1syh |
O=C(O)c1ccc(C2CCC(O)CC2)cc1 | tartarus_docking_1syh |
CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | tartarus_docking_1syh |
NC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O | tartarus_docking_1syh |
Cc1cc(C)cc(CC(N)C(=O)O)c1 | tartarus_docking_1syh |
Nc1nc(N)c2c(n1)CCC(C(=O)O)C2 | tartarus_docking_1syh |
O=c1[nH]c(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1 | tartarus_docking_1syh |
C/N=c1/nc2n3c(cccc3n1)NC(C)=N2 | tartarus_docking_1syh |
Nc1c(C(=O)O)nnc2ccc(Cl)cc12 | tartarus_docking_1syh |
COc1cccc2cc(C(N)=O)c(=O)oc12 | tartarus_docking_1syh |
O=C(O)C/C(=C\c1ccccc1)C(=O)O | tartarus_docking_1syh |
Nc1cccc2c1-c1ccccc1C2O | tartarus_docking_1syh |
O=c1c([N+](=O)[O-])n[nH]c2ccccc12 | tartarus_docking_1syh |
Nc1ccc2[nH]cc(CCC(=O)O)c2c1 | tartarus_docking_1syh |
N/N=C1/Cc2cccc3cccc1c23 | tartarus_docking_1syh |
O=C(O)CC/C(=N/O)c1ccccc1 | tartarus_docking_1syh |
O=C(O)/C=C(/Oc1ccc(Cl)cc1Cl)C(=O)O | tartarus_docking_1syh |
O=C(O)/C=C/C(=O)c1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
N/N=C1\c2ccccc2-c2c(N)cccc21 | tartarus_docking_1syh |
Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 | tartarus_docking_1syh |
Cn1c(/C=C/[N+](=O)[O-])cc2ccccc21 | tartarus_docking_1syh |
O=C(O)c1oc2ccc([N+](=O)[O-])c3c2c1CCC3 | tartarus_docking_1syh |
O=C(O)CCc1coc2ccc(O)cc12 | tartarus_docking_1syh |
COc1ccc2occ(CCC(=O)O)c2c1 | tartarus_docking_1syh |
O=C(O)COc1ccc(O)c2c1C(=O)CCCC2=O | tartarus_docking_1syh |
O=C(NO)c1cccc2ccccc12 | tartarus_docking_1syh |
CC(NC1=NCCO1)c1cccc2ccccc12 | tartarus_docking_1syh |
O=C(O)CC1NC(=O)C(CC(=O)O)NC1=O | tartarus_docking_1syh |
O=c1[nH]cc(CSCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1 | tartarus_docking_1syh |
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