SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1sccc1-n1cnnc1C=O
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O=c1ccoc(-c2nocc2O)c1
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Nc1sccc1Oc1cnsc1O
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Nc1nc(-c2cc(=O)cco2)ns1
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Nc1nc(-c2ccsc2C=O)no1
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Nc1cc2c(OC=O)csn2c1
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Nc1cccn1C=Cc1cnsc1
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Nc1cc(N)c(Oc2cnsc2)o1
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Nc1ccc(Nc2cn[nH]c2)s1
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Nc1coc(Oc2ncc(O)s2)c1
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C=Cc1ccc2c(O)c(O)[nH]n12
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O=c1ccoc(-c2cncs2)c1
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C=c1[nH]c(=S)n2cncc2cco1
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C=Cc1cnsc1-n1cncc1N
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Nc1cc2[nH]cc(C=CO)n2c1O
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C=C(C=O)c1cc2cc[nH]c2nn1
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C=C(C=O)n1cnc2c(N)noc21
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Nc1[nH]cc(O)c1-c1cnsc1
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NC(=S)Nc1noc2cnccc12
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NC(=CC=O)n1ccc2cc[nH]c21
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C=CC(=C)n1cnc2ncnc-2n1
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Nc1cc(O)n(-c2cscc2O)c1
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C=Cn1cnncc2sccc2o1
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Nc1nc(=O)nc2n1-c1cscc1-2
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Nc1ccc(Nc2ncccn2)s1
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C=Cc1nc(=O)c2nocc2o1
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C=COc1nsc2c(N)c(O)cn12
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NC(=O)c1c(O)cn2sc(O)cc12
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NC(=S)Nc1cc2ncoc2cn1
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C=Cc1cc(-n2ccnc2N)sn1
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NC(=O)c1c(C=O)cc2scnn12
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C=c1n(C(N)=S)c(=O)c2nccn12
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Nc1cc(O)sc1Oc1cnsc1
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Oc1cc2c(oc3cc[nH]c32)s1
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C=c1oc2nncn2[nH]ccc1=O
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Nc1nc(=O)cc(-c2cnsc2)[nH]1
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Nc1ncoc2nc3oncc3c1-2
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Nc1nc(=O)c2c(=O)occc2[nH]1
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O=Cn1c(=O)ncc2cnccc21
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Nc1[nH]nc2oc3cc(O)sc3c12
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Oc1ccc2ccsn12
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O=C(Nc1ccco1)c1ccns1
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Nc1cc2c3ocnc3sn2c1
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Nc1nc(=O)c2cocc2oc1=O
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Oc1[nH]c2cc3ocnn3c2c1O
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O=c1cnoc(-c2ncco2)n1
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Nc1[nH]c2cc3ocnn3c2c1O
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Nc1nc2[nH]cc(O)c2c(O)c1O
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Nc1nc2c(s1)Oc1ccoc1N2
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Nc1sc(O)c2[nH]c3cccn3c12
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OC=C(O)c1cn2sccc2n1
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Nc1cc(O)sc1-n1nccc1N
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O=Cc1sccc1-n1cncn1
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c1ncc2c(n1)ncc1ocnc12
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Nc1ncnc(=O)c2ccccc12
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NC(=S)n1cc(C=O)c2ccsc21
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NC(=O)c1c(N)oc2cc(O)sc12
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O=Cc1cnc2c(=O)ocnc2c1
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Nc1cc(N)n2ccsc12
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O=c1cnoc(-c2ccns2)n1
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Nc1occ(Oc2ccsc2)c1N
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C=Cc1cc2ccsn2c1NC=O
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O=c1ncoc2ccncc2c1=O
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Nc1cc2c(N)nc(N)c(O)c2s1
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Nc1ccnn1-c1nc(C=O)cs1
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Nc1cn(-c2ccc(O)o2)c(=O)s1
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Nc1cc2c(N)c(O)c(=O)[nH]c2s1
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O=c1ncc2nocc2[nH]c1=O
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C=Cc1nncc2nc(N)ccc12
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O=c1ncn2ncc3cncc1c32
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C=C(C=O)C(=O)c1ccccc1
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O=CC=Cn1cncnc1=O
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C=C(C(=O)O)n1cnc2ccoc21
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Nc1cc2c([nH]1)sc1cc(O)sc12
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Nc1[nH]ccc1-c1sc(=O)sc1N
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NC(=O)c1cc(=O)c2sncc2o1
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Nc1nccn1-c1coc(=O)s1
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Nc1cc2c(O)c3sccn3c2o1
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Nc1ccn2c(N)c(OC=O)sc12
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Nc1c(O)cn(-c2cnsc2)c1N
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O=Cc1c(=O)c(O)cn2ccoc12
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C=Cc1cnc(C=O)c(C=C)n1
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O=COC=Cc1cc(=O)cco1
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O=CNC(=S)n1ccc2nocc21
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O=Cc1nc2c(C=O)cncn2n1
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Nc1c[nH]c(Oc2coc(=O)s2)c1
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Nc1cn2sc3oc(O)cc3c2n1
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C=Cc1cnc2c(=O)ncoc2c1
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Oc1ncn2sccc12
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C=C(C=O)c1nc(=O)nc(N)o1
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O=Cc1cc2c(ncn2C=O)nn1
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C=Cc1cncc(C=O)c1C=O
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Nc1cc(C=O)cn1-c1cscn1
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Nc1cc2c([nH]c3c(N)[nH]cc32)s1
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Nc1ccc(-n2cc(O)sc2=O)s1
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O=Cc1cc(=O)ccc(=O)[nH]c1=O
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Nc1ncsc1-c1cocc1C=O
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C=Cc1cc2c(OC=O)csn2c1
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Oc1cc(O)n(-c2cnoc2)c1
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Nc1nc2c(o1)c(N)c1sccn12
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