SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
NC(N)=NC(CC(=O)O)c1ccccc1 | tartarus_docking_1syh |
CC(=O)CC1(O)C(=O)c2cccc3cccc1c23 | tartarus_docking_1syh |
O=C(O)Cc1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 | tartarus_docking_1syh |
COc1cc2c(cc1OC(C)=O)C=CCCC2=O | tartarus_docking_1syh |
O=C(O)CCC(=O)Nc1ccccc1C(=O)O | tartarus_docking_1syh |
Nc1ccc2c(CC(N)C(=O)O)c[nH]c2c1 | tartarus_docking_1syh |
NNc1cc(Cl)ccc1-c1ccn[nH]1 | tartarus_docking_1syh |
NC(Cc1ccc(O)c(C(F)(F)F)c1)C(=O)O | tartarus_docking_1syh |
NNC(=O)Cc1cccc2ccccc12 | tartarus_docking_1syh |
Cc1ccc2[nH]cc(C(=O)O)c(=O)c2c1 | tartarus_docking_1syh |
O=C(O)c1cc(C(=O)O)nc(C(=O)O)c1 | tartarus_docking_1syh |
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)O | tartarus_docking_1syh |
O=C(O)Cc1n[nH]c(=O)c2ccccc12 | tartarus_docking_1syh |
COc1ccc2cc(C(=O)O)ccc2c1 | tartarus_docking_1syh |
O=C(O)C1CC(C(=O)O)CC(C(=O)O)C1 | tartarus_docking_1syh |
O=C1c2cc([N+](=O)[O-])ccc2-c2c(F)cc(F)cc21 | tartarus_docking_1syh |
Nc1c(C(=O)O)nnc2cc(Cl)ccc12 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc(O)c2c1ccc[n+]2[O-] | tartarus_docking_1syh |
Nn1c(=O)[nH]c2cccc([N+](=O)[O-])c2c1=O | tartarus_docking_1syh |
O=C(Cc1cccc2ccccc12)NO | tartarus_docking_1syh |
O=c1[nH]c(=O)c2c3c(sc2[nH]1)CCCC3 | tartarus_docking_1syh |
CC(=O)OC1=COc2c(Cl)ccc3cccc1c23 | tartarus_docking_1syh |
O=c1cc(NCc2cccc([N+](=O)[O-])c2)[nH]c(=O)[nH]1 | tartarus_docking_1syh |
Cc1c(C(=O)O)nc(/C=C/C(=O)O)[nH]c1=O | tartarus_docking_1syh |
COc1ccc(C(=O)CCC(=O)O)c2ccccc12 | tartarus_docking_1syh |
NNC(=O)c1cc2ccccc2cc1O | tartarus_docking_1syh |
O=C(O)/C=C/c1cccc2ccccc12 | tartarus_docking_1syh |
NC(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O | tartarus_docking_1syh |
O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12 | tartarus_docking_1syh |
O=C1Cc2ccccc2C(C(=O)O)O1 | tartarus_docking_1syh |
NC(N)=N/C(N)=N/c1ccccc1CS | tartarus_docking_1syh |
CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O | tartarus_docking_1syh |
O=C(O)c1ccccc1-c1ccc([N+](=O)[O-])cc1Cl | tartarus_docking_1syh |
O=c1cc(/C=N/O)c2cccc3c2n1CCC3 | tartarus_docking_1syh |
Cc1cc(=O)n(CC(=O)O)c2ccccc12 | tartarus_docking_1syh |
O=C(O)C(=O)c1c(O)[nH]c2ccccc12 | tartarus_docking_1syh |
O=C(O)c1cc(=O)c2ccccc2[nH]1 | tartarus_docking_1syh |
Nc1ccc(S(=O)(=O)O)c2ccccc12 | tartarus_docking_1syh |
Cc1oc2cc(O)cc(O)c2c(=O)c1C | tartarus_docking_1syh |
O=C1NC(O)c2cc(O)ccc2O1 | tartarus_docking_1syh |
Cn1nnnc1-c1ccc(C(=O)O)cc1 | tartarus_docking_1syh |
O=C(O)c1cccc(-c2nn[nH]n2)c1 | tartarus_docking_1syh |
O=Nc1c(O)cc(O)c2ccccc12 | tartarus_docking_1syh |
O=c1[nH]c2ccccc2c2ccc([N+](=O)[O-])cc12 | tartarus_docking_1syh |
C=C(NC(C)=O)C(O)c1ccc([N+](=O)[O-])cc1 | tartarus_docking_1syh |
O=C(O)CCC12CCC(=O)C=C1NC(=O)CC2 | tartarus_docking_1syh |
NNC(=O)Oc1cccc2ccccc12 | tartarus_docking_1syh |
O=C(NO)Oc1cccc2ccccc12 | tartarus_docking_1syh |
O=c1ccnc2ccc3n[nH][nH]c3c12 | tartarus_docking_1syh |
CC(=O)Nc1cc(O)c(C(=O)O)cc1Br | tartarus_docking_1syh |
O=C(O)/C=C/c1ccc2c(c1)CCC2 | tartarus_docking_1syh |
O=C(O)/C(Cc1ccc([N+](=O)[O-])cc1)=N\O | tartarus_docking_1syh |
O=[N+]([O-])/C=C/c1ccc2ccccc2c1 | tartarus_docking_1syh |
COc1c(O)cc2cc(C)oc(=O)c2c1O | tartarus_docking_1syh |
N/N=C1/C=Cc2cccc3cccc1c23 | tartarus_docking_1syh |
Cn1c(/C=C/C(=O)O)cc2ccccc21 | tartarus_docking_1syh |
NNC1=Cn2c(nc3ccccc32)NN1 | tartarus_docking_1syh |
Nc1cccc(S(=O)(=O)NCC(=O)O)c1 | tartarus_docking_1syh |
O=c1nc2sc3ccccc3c(=O)n2[nH]1 | tartarus_docking_1syh |
NC(=O)CN1C(=O)c2ccccc2C1=O | tartarus_docking_1syh |
Nc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1 | tartarus_docking_1syh |
Nc1cccc2c1Cc1cc([N+](=O)[O-])ccc1-2 | tartarus_docking_1syh |
Cc1c([N+](=O)[O-])oc2ccc3ccccc3c12 | tartarus_docking_1syh |
c1cc2c3c(cc4n[nH]nc4c3c1)CC2 | tartarus_docking_1syh |
O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 | tartarus_docking_1syh |
Cc1nc2cc3c4c(cccc4c2o1)CC3 | tartarus_docking_1syh |
O=C(O)c1ccc2c(c1)S(=O)(=O)NC2=O | tartarus_docking_1syh |
O=C(O)c1cc(C(=O)O)c2ccccc2n1 | tartarus_docking_1syh |
O=C(O)c1c[nH]c2ccccc2c1=O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc(C[As](=O)(O)O)cc1 | tartarus_docking_1syh |
CC(=O)Nc1ccc2ccccc2c1[N+](=O)[O-] | tartarus_docking_1syh |
O=C(O)CCC(=O)Nc1ccccc1C(F)(F)F | tartarus_docking_1syh |
CC(=O)Nc1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 | tartarus_docking_1syh |
O=C(O)c1c(F)c(F)c(F)c(C(=O)O)c1F | tartarus_docking_1syh |
COC1=Cc2ccnc3c2C(NC=C3)C1=O | tartarus_docking_1syh |
O=c1[nH]c(=O)c2cc3cn[nH]c3cc2[nH]1 | tartarus_docking_1syh |
O=c1nc2[nH]c3ccccc3c2n[nH]1 | tartarus_docking_1syh |
O=C(O)CCCc1cccc2c1CCCC2 | tartarus_docking_1syh |
COc1cccc2cc(C(=O)O)c(=O)oc12 | tartarus_docking_1syh |
NNc1nnnc2c1sc1ccccc12 | tartarus_docking_1syh |
O=S(=O)(Nc1cn[nH]n1)c1ccccc1 | tartarus_docking_1syh |
Cc1cc2oc(=O)cc(C(=O)O)c2c(=O)o1 | tartarus_docking_1syh |
COC1=CC(O)(CC(N)=O)c2ccccc2C1=O | tartarus_docking_1syh |
COc1ccccc1CC(N)c1nn[nH]n1 | tartarus_docking_1syh |
O=C1CCC([N+](=O)[O-])C(c2ccccc2)N1 | tartarus_docking_1syh |
O=C(O)c1n[nH]c2ccccc2c1=O | tartarus_docking_1syh |
O=c1[nH]c2ccccc2c(=O)n1-c1ccco1 | tartarus_docking_1syh |
O=C(O)c1cccc(S(=O)(=O)NCCO)c1 | tartarus_docking_1syh |
Cc1nc2c([N+](=O)[O-])cc(C(=O)O)cc2[nH]1 | tartarus_docking_1syh |
COc1ccc2c(CC(=O)O)cc(=O)oc2c1 | tartarus_docking_1syh |
O=C(O)c1ccc2c(c1)C(=O)NC2=O | tartarus_docking_1syh |
NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O | tartarus_docking_1syh |
O=C(O)CCc1cccc2ccccc12 | tartarus_docking_1syh |
O=C(O)C(=Cc1ccccc1)C(=O)O | tartarus_docking_1syh |
O=C(O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O | tartarus_docking_1syh |
O=S(=O)(O)c1ccc(Cl)c2ccccc12 | tartarus_docking_1syh |
O=c1cc(-c2nn[nH]n2)[nH]c(=O)[nH]1 | tartarus_docking_1syh |
OC1c2cccc3cccc(c23)C1O | tartarus_docking_1syh |
NC(=O)Nc1cc2oc(=O)[nH]c2cc1Cl | tartarus_docking_1syh |
O=C1OC(=O)C2C1CC1C(=O)OC(=O)C12 | tartarus_docking_1syh |
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