SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1cc(Nc2ccsn2)c(N)s1
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Nc1nc(N)c2cocc2c(=O)n1
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Nc1c[nH]c(Oc2ccsn2)c1
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C=CC(=C)c1nn2c(O)cnc2[nH]1
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O=Cc1conc1Nc1cncs1
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Nc1cc2oc3nc(N)sc3n2c1
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C=Cc1ccc(-c2nncs2)nn1
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Oc1cc2[nH]c3cccn3c2s1
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NC(=S)Nc1ccc2sc(N)cn12
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Nc1nsc2c1cc1[nH]cc(O)n12
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Nc1cc2[nH]c3[nH]c(=O)sc3c2s1
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Oc1cnc2c3ccoc3sn12
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Nc1ccoc1Nc1csc(=O)s1
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Oc1cc2nc3ccoc3n2s1
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O=c1[nH]c(-n2cccn2)c(O)s1
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C=Cn1c(O)c(O)c2sc(N)nc21
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C=Cc1nc(=O)c2c(N)n[nH]c2o1
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O=Cc1cncc2ncc(O)cc12
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Nc1ccsc1Oc1scnc1O
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Nc1nc2c(s1)On1cccc1O2
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Nc1conc1Oc1cscn1
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Nc1c[nH]c(=Nc2cscc2N)s1
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Nc1ccn(-c2csc(O)c2)c1N
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O=c1ccoc2ncnc(=O)n12
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C=Cn1c(=O)sc2c(N)c(O)sc21
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Nc1ccc(Nc2c[nH]cc2O)s1
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O=Cc1cnc(=O)n(C=O)c1
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Nc1sccc1-n1c(N)ccc1N
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Nc1c(NC=O)[nH]c2sc(O)cc12
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NC(=S)n1ccc(=O)c2cnoc21
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C=CC(=O)c1c(N)cn2cn[nH]c12
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Nc1ccc(Nc2ccoc2)s1
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C=C(c1cscn1)n1ccc(N)c1
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C=COc1nc2[nH]c(O)c(O)c2[nH]1
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C=CC(=C)n1c(N)nc2sncc21
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NC(=S)n1c(O)cc2cnoc21
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Nc1cn(-c2ccsc2)c(N)n1
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Nc1nc(=O)ccn1-c1cscn1
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C=CC(=C)n1c(N)cc2oncc21
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O=CN(C=O)c1nc2cocc2[nH]1
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Nc1cnc2cnncc2c1
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O=c1ncn2c(=O)occc2n1
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Nc1cc(Oc2ncc[nH]2)c(N)s1
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O=C(Oc1cc[nH]c1)c1ncsn1
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C=CC(=O)Oc1nc2[nH]cnc2[nH]1
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c1ncc2c(n1)ncc1oncc12
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C=Cc1cc(=O)cc(O)o1
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C=Cc1[nH]cc2oc(=O)c(=O)oc12
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Nc1cc(-n2cnc(O)c2)c(N)s1
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NC(=O)c1c(N)[nH]c2cc(N)sc12
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Nc1cn2c(n1)oc1cc(O)sc12
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C=COc1c(O)c(O)n2[nH]cnc12
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Nc1csc(O)c1Nc1ccc[nH]1
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Oc1c[nH]c(=Nc2ncco2)s1
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C=COc1ncc2cncnc2n1
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C=CC(=C)n1cnc2oc(=O)[nH]c21
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Nc1cc(O)sc1-n1cccc1N
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NC(=O)Nc1cc(N)n2ccsc12
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Nc1nsc(O)c1-c1cc(O)c[nH]1
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NC(=O)c1sccc1C=O
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C=C(c1cc[nH]n1)n1ccnc1N
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Nc1cc2c([nH]c3cccn32)s1
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Nc1nc2c(oc3c(N)ccn32)s1
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Nc1ccoc1Oc1ncsn1
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Nc1cc2c(N)ncc(O)c2s1
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O=c1oc2[nH]c3cccn3c2s1
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Nc1cc2c(O)c3occn3c2s1
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O=Cn1c(=O)ccc2ccccc21
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Nc1ncc(-n2c(O)ccc2O)s1
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Nc1[nH]cc(Oc2nccs2)c1N
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Nc1cc(O)sc1-n1cccc1O
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Nc1cc2c([nH]1)oc1sc(O)cc12
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C=Cc1c(N)[nH]c2sc(=O)sc12
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Nc1ccn2c1Oc1csnc1O2
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Nc1ccc(Nc2conc2N)s1
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Nc1cnn2c1[nH]c1sc(O)cc12
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Nc1cc(Oc2cccs2)c(N)s1
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Nc1[nH]cc2c1-c1c(O)sc(N)c1-2
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O=CNc1ccc2c(O)c(O)[nH]n12
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Nc1c[nH]c(=Nc2cscc2O)s1
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C=Cc1nc(-c2cscc2N)no1
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NC(=S)n1c(=S)[nH]c2ccncc21
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C=c1oc2nccn2ncoc1=O
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C=COc1cnc2cncnc2c1
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Nc1cn(-c2ccsc2O)cc1N
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C=Cn1c2c(O)s[nH]c-2nc1=O
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Nc1cc2n([nH]c3cccn32)c1N
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c1cncc2ncnc-2c1
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O=Cc1c[nH]c2ncccc2c1=O
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NC(=S)Nc1cc2ccoc2cn1
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Nc1sc(O)c2c1-c1ccc(N)n1-2
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C=Cc1cocnncn1C(N)=S
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O=c1[nH]cc(Oc2cnccn2)[nH]1
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O=Cc1conc1Nc1cnsc1
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C=Cc1cc2[nH]c(OC=O)nn2c1
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Nc1cc2cc(NC=O)sc2[nH]1
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Nc1ccc2[nH]c3nsc(O)c3n12
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Nc1nc(=O)ccc2cncnc12
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Nc1sc2[nH]cc(N)c2c1OC=O
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Nc1cc(Oc2csc(=O)s2)c[nH]1
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