SMILES
stringlengths
11
220
Source
stringclasses
16 values
C=CC(=O)Nc1nc2cccn2o1
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O=C1Nc2ncnc(=O)c(O)c21
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C=Cc1cn2c(N)cnc2o1
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NC(=O)c1nc(=O)ccn1C=O
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C=Cc1csnc1-c1c[nH]cc1N
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Nc1c[nH]c(Nc2ccc(O)s2)c1
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Nc1nncn1-c1coc(C=O)c1
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Nc1cc2nc3ncccc3n2s1
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C=Cn1c(=O)sc2cc(N)sc21
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Nc1occ(-c2ncsc2O)c1N
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Nc1c[nH]c(Nc2cncnc2)c1
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Nc1ccc2sc3[nH]cnc3n12
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Nc1cscc1-c1cc(C=O)on1
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NC(=O)c1cccc2cnncc12
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Nc1c(O)ccn1-c1nscc1O
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Oc1cnc2[nH]cc(O)n12
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Nc1sc(N)c2c1-c1ncc(O)n1-2
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NC(=S)n1cc2ocnc(=O)c2c1
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Nc1cccn1-c1cnsc1
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O=c1ncoc(-c2ccncn2)n1
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O=Cc1cnc[nH]oc2ocnc12
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Nc1cnnc2cc(C(=O)O)sc12
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Nc1scc2c1-c1c(O)nc(N)n1-2
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O=Cc1cnc2nc(O)cnc2c1
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C=Cc1c(O)[nH]c2sc(N)c(O)c12
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Nc1ccc2c3sc(=O)oc3[nH]n12
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O=CNC(=O)c1cccnc(=O)c1
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NC(=S)n1cccc1-c1ncon1
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C=C1C(=O)Nc2ccnnc21
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O=Cn1cncc1Nc1ncco1
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C=Cn1cc(C=O)c(=O)nc1N
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Nc1ncc(Nc2csc(O)c2)o1
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Nc1cc(NC=O)c2sc(O)cn12
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NC(=O)c1cc(=O)cc(N)[nH]1
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C=COc1cn2c(=O)sc(N)c2s1
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O=c1[nH]ccn1-c1ccc(O)s1
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Nc1cc(N)c(Nc2cnoc2)s1
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O=c1ncoc(-c2ccns2)n1
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NC(=S)n1ccc(=O)c2scnc21
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Nc1cc2oc3scnc3n2c1N
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C=Cc1ncnc2c(=O)ncoc12
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O=c1ccoc2nc(O)cnc12
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Nc1nc(O)c(-n2ccc(O)c2)s1
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C=C(NC=O)c1ccnnco[nH]1
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O=c1ncn2cnc3nccc1c32
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NC(=S)n1cncc1C=O
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Nc1cc2c([nH]c3ccsc32)s1
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O=c1[nH]c(O)c(O)n2cccc12
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Nc1c(NC=O)c2sccn2c1N
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NC(=O)c1nc(O)cnc1C=O
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O=Cc1ccc(-c2nncs2)nc1
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Nc1ccc(Nc2cocc2N)s1
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C=Cc1nc(=O)c2ncc(N)n2o1
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C=Cn1cc(N)c2sc(O)c(O)c21
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Nc1cc2ccsn2c1
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Oc1cc(Oc2ncsn2)c[nH]1
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Nc1occ(O)c1Oc1ccsn1
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Nc1c[nH]nc1-c1csnc1C=O
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C=COc1nn2c(O)c(N)cc2s1
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C=Cc1c(N)oc2sc(O)c(O)c12
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NC(=O)Oc1cc2cc(O)sc2[nH]1
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O=c1ccoc(-c2cncs2)n1
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Nc1scc(O)c1N=c1[nH]ccs1
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O=CNc1cnc2ccsn12
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Nc1nocc1C(=O)c1ccon1
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Nc1cc(Oc2cc[nH]c2)c(N)s1
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O=c1nc[nH]c(-c2cccnc2)n1
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C=C(C=O)c1cc(=O)[nH]cnc1=O
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O=Cc1cc2c3[nH]ncc3sn2c1
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Nc1coc(O)c1-c1ncsn1
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O=c1cc2n(cn1)-c1csnc1-2
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C=Cn1cc2ccn(C(N)=S)c2n1
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O=C(O)C=Cc1cc(=O)cco1
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O=CN(C=O)c1ccc2ccsn12
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O=c1ncn2ccc3nccc1c32
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Nc1cc[nH]c1Nc1c[nH]c(=O)s1
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O=CNc1cc2cnncc2cn1
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NC(=O)c1coc2sc(O)c(N)c12
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Oc1ccc(Oc2ccsc2)[nH]1
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Nc1c(O)ccn1-c1cc(O)sn1
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Nc1scnc1-n1cncc1C=O
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Nc1ccn2c1sc1oc(=O)sc12
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NC(=O)c1ccc2ncncc2n1
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NC(=O)c1cccc2ncncc12
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O=Cc1ncn2sc3ocnc3c12
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Oc1cnc(Nc2cnoc2)s1
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Nc1cc(Nc2ccoc2N)ns1
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C=C(N)c1c[nH]c2ncn(C=O)c12
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C=Cc1cnc2cnc(N)nc2c1
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Nc1ccc(Nc2cscc2N)s1
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Nc1cc(=O)nc2ccon12
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C=CC(=O)c1c[nH]c(N)nc1=O
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Nc1c(O)sc2occc12
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C=c1ccccn2cc(N)nc2o1
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Nc1cc(=O)cc(-c2ccsc2)[nH]1
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O=C(Oc1cc[nH]c1)c1nncs1
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NC(=S)n1ccocc[nH]c1=O
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C=CN(C(N)=S)c1cncnc1
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O=C1c2cnccc2-n2cncc21
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C=C(c1cncs1)n1cnc(N)c1
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