SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1cc2nc3ccncc3n2s1
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Oc1c[nH]c(Oc2cnsc2)c1
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C=Cc1cc2c3[nH]cnc3sn2c1
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NC(=S)n1cnc2cc[nH]c2c1=O
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Nc1sc(N)c2c1-c1cocc1-2
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C=Cc1c(N)[nH]c2sc(N)nc12
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Nc1[nH]c(O)c2sc3[nH]ccc3c12
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Nc1nsc(O)c1-c1cccnn1
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Nc1[nH]ccc1Nc1csc(=O)s1
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Nc1nc2c([nH]c3c(O)coc32)s1
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NC(=O)c1ccsc1C=O
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NC(=S)Nc1nncc2ccsc12
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Nc1c(O)sc2[nH]c(OC=O)cc12
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NC(=S)n1ccc2ccncc21
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NC(=S)Nc1cnc2ocnc2c1
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Nc1cc2oc3sc(O)cc3c2o1
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NC(=O)c1csnc1-n1cccc1
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O=c1ncocc1-c1ncccn1
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Nc1cncn1-c1sccc1O
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Nc1[nH]cc2[nH]c3nsc(O)c3c12
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Nc1cc(O)n2c1sc1cc[nH]c12
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C=CC(=O)Oc1cn2cnnc2[nH]1
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Nc1nc2c(s1)Oc1occc1O2
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Nc1[nH]ccc1-c1[nH]c(=O)sc1O
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Nc1cc(Nc2ccc(O)s2)on1
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Oc1ncn(-c2cccnc2)c1O
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Nc1nscc1-n1cccc1C=O
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Nc1nc2cc3scc(N)n3c2s1
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Nc1cc2nc3cc(O)[nH]n3c2s1
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Nc1cc(O)n(-c2csc(O)c2)c1
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Nc1nncn1-c1cc(C=O)cs1
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Oc1ccn2c1sc1[nH]ccc12
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O=c1ccoc(-c2ncco2)n1
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Nc1cc(O)sc1Oc1ccco1
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Nc1cc2c([nH]c3c(O)[nH]nc32)s1
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C=CC(=O)c1cnccc1C=O
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Oc1cnnc(-n2cccc2)n1
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Nc1snc2c1-c1ccc(O)n1-2
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Nc1[nH]cc(Nc2ccsn2)c1O
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Nc1nc2c(oc3c(O)ccn32)s1
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Oc1oc2[nH]c3cccn3c2c1O
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Nc1cc(O)cn1-c1cscc1O
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C=COc1c(N)sc2ccc(N)n12
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C=Cn1c(=O)oc2c(N)sc(N)c21
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Nc1cn2c(n1)oc1csc(O)c12
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C=COc1cn2c(O)c(N)cc2s1
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O=CNC(=S)Nc1ccccc1
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C=COc1nsc2[nH]c(N)c(N)c12
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Nc1occ2c1oc1nsc(O)c12
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Nc1sc(O)c2c1-c1cccn1-2
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O=CNC(=S)Nc1cccnc1
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Nc1[nH]ccc1-c1cocc1C=O
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Nc1c[nH]nc1Nc1ccc(O)s1
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Nc1ccc(Oc2ncc(O)s2)[nH]1
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Nc1cc(O)sc1Oc1cc[nH]c1
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NC(=S)Nc1cccc(C=O)c1
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Nc1ccc2[nH]c3sc(=O)[nH]c3n12
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C=Cn1cnc(-c2c[nH]cc2N)c1
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Nc1[nH]sc2nc3ncccc3c1-2
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Nc1ccc(-n2cc(N)sc2=O)[nH]1
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C=COc1sc2cnc(N)n2c1O
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Nc1ccn2c(O)c(NC=O)sc12
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Nc1cc(Oc2ccon2)sc1O
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NC(=S)Nc1ccn2cc(N)sc12
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NC(=S)N(C=O)c1ccccc1
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Nc1cc2[nH]c3sc(N)nc3c2s1
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Nc1nn2c(sc3[nH]ccc32)c1O
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NC(=S)Nc1cncc2oncc12
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Nc1cc2c(NC=O)c(N)[nH]c2s1
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NC(=O)c1ccoc1C=O
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NC(=O)c1coc2csnc2c1=O
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Nc1scc(-n2cccc2O)c1O
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Nc1c[nH]c2oc3sc(=O)sc3c12
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Nc1[nH]ncc1-c1cc(O)sc1O
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Nc1cc2[nH]c3sc(=O)[nH]c3c2[nH]1
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NC(=O)c1nc2occc(=O)c2s1
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Nc1nc2c(s1)Oc1[nH]ccc1O2
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Nc1c(O)sc2nc(=O)ccn12
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Nc1oc(=O)n2c1sc1occc12
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Nc1nc2c(s1)Oc1cc[nH]c1O2
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Nc1cc2sc3[nH]ccc3n2c1O
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NC(=O)Nc1ncccc1C=O
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Nc1n[nH]c2c1c(O)c1sccn12
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C=Cc1nc(=O)nc(N)n1C=C
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Nc1cc2cc[nH]c2s1
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Oc1[nH]n2cccc2c1O
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Nc1cn2c(cc3sc(O)cn32)n1
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O=c1cc(-c2ncsn2)ocn1
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Nc1[nH]c(O)c2sc3ocnc3c12
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c1cc2c3[nH]cnc3sn2c1
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c1cn2sc3nncc-3c2o1
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Nc1[nH]c(=O)n2ccsc12
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Nc1ccn2c1[nH]c1sc(=O)oc12
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C=COc1c(N)sc2c(N)ncn12
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C=Cn1c(=O)oc2c(N)sc(O)c21
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Oc1[nH]c2c(oc3[nH]ccc32)c1O
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Nc1occ(O)c1Oc1cscn1
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C=Cc1nc(=O)cc(O)o1
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Nc1c[nH]c(Oc2ccsc2N)c1
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Nc1ncn(-c2cscc2C=O)n1
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