SMILES
stringlengths
11
220
Source
stringclasses
16 values
OC=Cc1c[nH]c2sc(O)cc12
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Nc1nc(=O)cc2n1-c1csnc1-2
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Oc1cc2c(O)ccc(O)n2c1O
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C=Cc1ccsc1-n1ccnc1N
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Nc1cc2sc(N)c(O)c2[nH]1
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Nc1cc(O)sc1Nc1c[nH]cn1
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Nc1nscc1-c1conc1C=O
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Nc1c(-n2cccc2)sc(O)c1O
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S=C(Nc1ccsc1)n1cnnc1
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Nc1c[nH]c(Nc2ccccn2)n1
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Nc1ncc(Nc2coc(O)c2)s1
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O=c1ncoc2nc[nH]c(=O)c12
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Nc1sc(N)c2c1-c1conc1-2
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Nc1snc(Nc2ccc[nH]2)c1O
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Nc1[nH]c(-c2ncc[nH]2)c(O)c1O
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Nc1sc(=O)sc1-c1cc[nH]c1
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Oc1[nH]c2c([nH]c3ccoc32)c1O
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O=Cc1noc2cnncc12
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O=Cc1conc1Nc1cc[nH]n1
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Nc1cc2[nH]c3sc(=O)[nH]c3n2c1
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Nc1cccn1-c1[nH]c(=O)sc1O
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Nc1occ(Oc2ccon2)c1N
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C=COc1nncc2cncnc12
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Nc1cnc2c(=O)cc(O)oc2n1
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C=COc1[nH]c2sc(N)cc2c1O
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Nc1c[nH]c(=Nc2ccoc2N)s1
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NC(=O)c1coc2sccc2c1=O
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Nc1cnc2oc3cc(O)sc3n12
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O=C(c1cncnc1)c1ncco1
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C=COc1c(N)sc2c(N)cnn12
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C=Cn1cnc(-n2ccnc2N)c1
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Nc1cc(O)n2c1sc1ocnc12
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Nc1coc(Nc2csc(=O)s2)c1
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Nc1cc2c(C(=O)O)c(N)[nH]c2s1
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NC(=S)n1c(=S)[nH]c2ccccc21
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O=Cc1nncc2[nH]c(=O)sc12
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Nc1ncc(Oc2ccsc2N)[nH]1
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C=COc1csc2c(N)oc(=O)n12
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Nc1cc2c([nH]c3cncn32)s1
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Nc1cc(O)sc1-n1ccsc1=O
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NC(=O)c1[nH]c2sc(O)cc2c1O
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O=CNC(=S)Nc1ccncc1
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C=COc1nc2nc(O)cn2s1
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O=c1nc[nH]c(-c2ccncc2)n1
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Nc1cc2c3[nH]cnc3sn2c1
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Nc1cc(Nc2ccc[nH]2)sc1N
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Nc1c(Nc2cc[nH]c2)nsc1O
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Nc1cnc2[nH]c3csc(O)c3n12
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c1cc2c3ocnc3sn2c1
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Nc1sc2c(O)c[nH]c2c1O
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Nc1[nH]c(OC=O)c2cc(O)sc12
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Nc1nc2oc3sc(O)cc3c2o1
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Nc1ncc(-n2cc(O)cc2N)s1
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OC=Cc1cncn1-c1cnsc1
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Nc1oc2sc3scnc3c2c1N
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NC(=O)c1csc2onc(C=O)c12
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Nc1cc2c([nH]1)sc1[nH]c(=O)sc12
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C=Cn1c(N)c2sc(=O)sc2c1N
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O=c1[nH]c(O)c(Nc2ccc[nH]2)o1
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Oc1c2ocnc2n2cnsc12
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C=COc1sc(=O)n2cc(N)[nH]c12
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NC(=S)Nc1nsc2occc12
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C=C(N)c1c[nH]c2c(O)c(O)sc12
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Nc1cc(N)c(Nc2ccsc2)[nH]1
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Oc1cnc(Nc2cocn2)s1
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Nc1cc2c(OC=O)c[nH]c2s1
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C=COc1c(O)sc2cc(N)[nH]c12
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Nc1cc2c([nH]1)c(N)c1sccn12
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Nc1nc2cc3cc[nH]n3c2s1
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O=c1ncn2c(n1)-c1cnccc1-2
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Nc1nc(Oc2cc[nH]c2)c(O)s1
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Nc1cc(Oc2ccc[nH]2)sc1O
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O=Cc1cc2c3[nH]ccc3sn2c1
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O=Cc1nnc[nH][nH]c2cscc12
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C=Cc1ncsc1-n1ccnc1N
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Oc1[nH]sc2nc3nocc3c1-2
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Nc1cc2sc(O)c(N)c2[nH]1
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O=CNc1ncc2ccsn12
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Nc1c[nH]c2sc(O)c(OC=O)c12
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C=CC(=O)Oc1con2cccc12
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Nc1ccc(Oc2ncsn2)o1
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NC(=S)n1cnc(=O)c2ccoc21
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Nc1nc2c([nH]c3c(N)csc32)s1
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O=Cc1cncc(-n2cccc2)c1
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Nc1ncc(Nc2ccoc2)s1
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Nc1nc(Nc2ccco2)c(N)s1
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Nc1cn(-c2ccsc2)c(O)c1O
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NC(=O)c1nc(=O)c2cscc2o1
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Oc1cc2nc3cnsc3n2s1
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Nc1ccn(-c2[nH]c(=O)sc2O)c1
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Nc1ccc2n1nc1sc(O)cn12
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C=Cc1nc(=O)c2ncccc2o1
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C=COc1nsc2cc(N)c(O)n12
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Nc1cccc(N)c1-c1ccsn1
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C=C(c1ccsc1)n1cncc1N
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Nc1c(O)c(O)cn1-c1cscn1
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Oc1cc2c(o1)sn1cnnc21
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Nc1csn2c1nc1cc(O)sc12
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O=Cn1c(O)c(O)c2c(O)[nH]cc21
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Nc1csc(=O)n1-c1ccsn1
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