SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
Nc1cc2[nH]c(=O)[nH]c(=O)c2cc1[N+](=O)[O-] | tartarus_docking_1syh |
CSc1nc(NC2OCC(O)C(O)C2O)c(Cl)c(=O)n1C | tartarus_docking_1syh |
Cn1nc(N)c2cc(C(N)=O)c(N)nc21 | tartarus_docking_1syh |
O=C(O)c1nc2ccccc2c(=O)[nH]1 | tartarus_docking_1syh |
O=c1cc(-n2nc3ccccc3[n+]2[O-])[nH][nH]1 | tartarus_docking_1syh |
COc1cc2c(cc1O)C(=O)CCC=C2 | tartarus_docking_1syh |
NC(C(=O)O)C(CC(=O)O)c1ccc(O)cc1 | tartarus_docking_1syh |
O=[N+]([O-])c1cc(Br)c2cccnc2c1O | tartarus_docking_1syh |
O=c1[nH]c2c(c(=O)n1CC(O)CO)CCCC2 | tartarus_docking_1syh |
Cc1cccc2[nH]cc(CC(N)C(=O)O)c12 | tartarus_docking_1syh |
CC(=O)Nc1ccccc1[As](OC(C)=O)c1ccccc1 | tartarus_docking_1syh |
O=C(O)C(O)c1cccc2ccccc12 | tartarus_docking_1syh |
Cn1cc(CC(N)C(=O)O)c2ccccc21 | tartarus_docking_1syh |
O=C(O)CNC(=O)c1cccc2ccccc12 | tartarus_docking_1syh |
O=C1OC(=O)C2=C1CCc1ccccc12 | tartarus_docking_1syh |
Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] | tartarus_docking_1syh |
Nc1nnnn1-c1ccc2ccccc2c1 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c([N+](=O)[O-])cc(O)cc2c1 | tartarus_docking_1syh |
Nc1cc2c3c(cccc3c1N)CC2 | tartarus_docking_1syh |
O=NC1=C(N=O)c2cccc3cccc1c23 | tartarus_docking_1syh |
Cc1ccc2c(C)cc3c(c2c1)C(=O)OC3=O | tartarus_docking_1syh |
COc1cc([N+](=O)[O-])ccc1-c1ccccc1C(=O)O | tartarus_docking_1syh |
NC(=O)c1nnc2c(F)cccc2c1N | tartarus_docking_1syh |
O=C1NC(=O)C2C(c3ccccc3)=NOC2N1 | tartarus_docking_1syh |
O=Nc1ccc2cc(O)ccc2c1O | tartarus_docking_1syh |
O=C(O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 | tartarus_docking_1syh |
O=C1Cc2cn[nH]c2-c2ccccc2N1 | tartarus_docking_1syh |
O=c1[nH]c(=O)c2c([nH]1)[nH]c1ccccc12 | tartarus_docking_1syh |
Cc1nc2c(=O)n3c4c(cccc4c2o1)CCC3 | tartarus_docking_1syh |
C[C@@]12[C@H]3CC[C@@H]1[C@H](O)C(=O)N2CC3 | tartarus_docking_1syh |
Nc1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O | tartarus_docking_1syh |
O=C1c2cc([N+](=O)[O-])ccc2-c2cccc(Cl)c21 | tartarus_docking_1syh |
O=C1N=C(c2c[nH]c3ccccc23)C(=O)N1 | tartarus_docking_1syh |
CC(=O)c1cc(O)c2ccccc2c1O | tartarus_docking_1syh |
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O | tartarus_docking_1syh |
O=C1CCC([N+](=O)[O-])C(c2ccccc2Cl)N1 | tartarus_docking_1syh |
Cc1cccc(CC(CC(=O)O)C(=O)O)c1 | tartarus_docking_1syh |
CC(=O)Nc1ccc(C(=O)O)cc1C(=O)O | tartarus_docking_1syh |
O=C(O)/C=C/c1ccc(O)c(C(=O)O)c1 | tartarus_docking_1syh |
COc1ccc2ccc3oc([N+](=O)[O-])cc3c2c1 | tartarus_docking_1syh |
COc1nc(NC2OCC(O)C(O)C2O)c(Cl)c(=O)n1C | tartarus_docking_1syh |
NNC(=O)Cc1nc2ccccc2[nH]c1=O | tartarus_docking_1syh |
NNC(=O)c1cc2cnccc2nc1N | tartarus_docking_1syh |
NC(=O)c1ccc2c(ccc3ccccc32)c1 | tartarus_docking_1syh |
N/C(=N\c1nn[nH]n1)Nc1ccccc1 | tartarus_docking_1syh |
CC(=O)c1cc(C(C)=O)c2ccccc2c1O | tartarus_docking_1syh |
O=C(O)C(=O)Nc1cccc([N+](=O)[O-])c1 | tartarus_docking_1syh |
NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O | tartarus_docking_1syh |
Cc1ccc2cc(C(=O)O)n(O)c2c1 | tartarus_docking_1syh |
O=C(NO)C(=O)Nc1cc(Cl)ccc1Cl | tartarus_docking_1syh |
NC(CC(=O)c1ccc(O)cc1)C(=O)O | tartarus_docking_1syh |
Nc1cc(C(F)(F)F)ccc1-c1ccn[nH]1 | tartarus_docking_1syh |
O=C(O)C1Oc2cc3ccccc3cc2O1 | tartarus_docking_1syh |
O=[N+]([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O | tartarus_docking_1syh |
c1nc2c([nH]1)CCNC2c1ccc2c(c1)OCO2 | tartarus_docking_1syh |
FC(F)(F)c1ccc(-c2nn[nH]n2)cc1 | tartarus_docking_1syh |
O=C(O)c1ccc2cc(O)ccc2c1 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)C(O)c1ccccc1-2 | tartarus_docking_1syh |
O=C(O)Cc1ccc2c3c(cccc13)CC2 | tartarus_docking_1syh |
NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O | tartarus_docking_1syh |
O=C(O)C(Nc1ccc2ccccc2c1)C(=O)O | tartarus_docking_1syh |
O=C1NC(=O)c2cc([N+](=O)[O-])cc3cccc1c23 | tartarus_docking_1syh |
O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1 | tartarus_docking_1syh |
FC(F)(c1nn[nH]n1)C(F)(F)C(F)(F)c1nn[nH]n1 | tartarus_docking_1syh |
O=C(O)CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O | tartarus_docking_1syh |
O=C(O)c1c(O)cccc1CC(C(=O)O)C(=O)O | tartarus_docking_1syh |
O=Nc1n[nH]c(-c2ccccc2)c1NO | tartarus_docking_1syh |
O=C([O-])c1cccc2cccc([Hg+])c12 | tartarus_docking_1syh |
O=C(O)c1cccc2[nH]c(=O)oc(=O)c12 | tartarus_docking_1syh |
Cc1cc2c([N+](=O)[O-])c3cccnn3c2nn1 | tartarus_docking_1syh |
CC(=O)Nc1cccc(C(CC(=O)O)CC(=O)O)c1 | tartarus_docking_1syh |
O=C(O)c1ccccc1C(=O)Nn1cnnc1 | tartarus_docking_1syh |
O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)[nH]1 | tartarus_docking_1syh |
O=C(O)c1cc(O)c(C(=O)O)cc1O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)CCc1ccccc1-2 | tartarus_docking_1syh |
NC(Cc1c[nH]c2c(O)cccc12)C(=O)O | tartarus_docking_1syh |
O=C(O)CNc1ccc([N+](=O)[O-])cc1C(=O)O | tartarus_docking_1syh |
Cc1ccccc1CC(CC(=O)O)C(=O)O | tartarus_docking_1syh |
NNC(=O)c1nnn(-c2ccccc2)c1N | tartarus_docking_1syh |
Cc1ccc(CC(=O)C(=O)O)c([N+](=O)[O-])c1 | tartarus_docking_1syh |
O=C1CNC(c2ccc([N+](=O)[O-])cc2)N1O | tartarus_docking_1syh |
NC(=O)Cc1nnc2ncnc(N)c2n1 | tartarus_docking_1syh |
O=C(O)c1ccc2c([N+](=O)[O-])cccc2n1 | tartarus_docking_1syh |
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1 | tartarus_docking_1syh |
CC(Nc1ccc([N+](=O)[O-])c2nonc12)C(=O)O | tartarus_docking_1syh |
Cc1cc(C)n(O)c2nc(=O)ccc1-2 | tartarus_docking_1syh |
NC(Cc1cccc(C(=O)O)c1)C(=O)O | tartarus_docking_1syh |
Cc1ccc2c(ccc3nnc(C)n32)c1 | tartarus_docking_1syh |
NC(=O)NC(=O)Oc1cccc2ccccc12 | tartarus_docking_1syh |
O=C(O)CC(Cc1ccccc1Cl)C(=O)O | tartarus_docking_1syh |
NC(=O)c1nnc2cc(F)c(F)cc2c1N | tartarus_docking_1syh |
O=C1OC(=O)C2=C1CCc1ccc(F)cc12 | tartarus_docking_1syh |
O=C1c2cc([N+](=O)[O-])ccc2-c2c(F)cccc21 | tartarus_docking_1syh |
Cc1c/c(=N\O)c2c(=O)ccoc2n1O | tartarus_docking_1syh |
O=[N+]([O-])c1ccc2c(c1)/C(=N\O)c1cc(F)ccc1-2 | tartarus_docking_1syh |
OC1COC(Sc2ncc[nH]2)C(O)C1O | tartarus_docking_1syh |
C[C@]12CCC(=O)C[C@H]1CCC(O)[C@@H]2Br | tartarus_docking_1syh |
CC1Cc2c(N)nc(NN)nc2NC1=O | tartarus_docking_1syh |
Nc1ccc2c(c1)C1=NNC(=O)CC1C2 | tartarus_docking_1syh |
O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 | tartarus_docking_1syh |
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