SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1cn2c(nc3c[nH]cc32)s1
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NC(=O)c1coc2ncsc2c1=O
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O=CN(C=O)c1coc2cccn12
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Nc1ncnc(=O)c2ncccc12
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Nc1nc(O)c(-n2cccc2)s1
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Oc1cc2occccoc2s1
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O=C1Oc2c1cn1sccc21
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Nc1cc2[nH]c3[nH]c(=O)sc3c2[nH]1
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Oc1cc(O)c2c(O)c(O)[nH]c2c1
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Nc1csc(Nc2c[nH]c(=O)s2)c1
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NC(=O)c1snc2occc(=O)c12
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Oc1coc2sn3cnnc3c12
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C=Cc1c(O)[nH]c2cc(O)sc12
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Nc1oc(=O)sc1-c1[nH]ccc1O
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Nc1sc(O)c2c1-c1c(O)cnn1-2
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Nc1cc2c([nH]1)oc1cc(O)sc12
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C=C(C=O)n1cnc(=O)ncc1=O
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Oc1ccn(-c2ccsc2)c1O
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Nc1nc(O)c2sc3occc3n12
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Nc1ccc(O)n1-c1csc(O)c1
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Nc1snc2c1Nc1ccoc1N2
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Nc1cc2[nH]ccc(=O)n2c(=O)n1
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Nc1ccn2c1oc1[nH]c(=O)sc12
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C=CC(=C)n1cnc2nc(O)cn21
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O=Cc1cn2sc3[nH]ccc3c2n1
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C=C1OC=Nc2nc(=O)ccn21
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C=Cc1nncc(C=O)c[nH][nH]1
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Nc1[nH]nc2oc3sc(O)cc3c12
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Nc1cc(NC=O)n2cc(O)sc12
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c1ccc2cnocnc-2nnc1
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C=Cc1cnc2c3cnoc3sn12
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Nc1nocnc1=Nc1ccsc1
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C=C(C(=O)O)c1cc(=O)cco1
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C=COc1cc(O)c(=O)nc(N)n1
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NC=Cc1c[nH]c2c1ncn2C=O
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C=C1C(=O)Oc2c(O)cnnc21
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Nc1[nH]ccc1Nc1ncccn1
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Nc1cc2[nH]c3cc(O)sc3n2n1
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Nc1sc(=O)sc1-n1cccn1
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Nc1[nH]ncc1-c1cscc1C=O
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O=Cc1cccc(C=O)c1C=O
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Nc1cc2c([nH]c3c(O)cnn32)s1
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Nc1oc(=O)n2c1sc1ccoc12
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O=CNc1ncnc2cnccc12
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Nc1cc(-n2cccc2)c(N)s1
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Nc1cn2c(nc3[nH]cc(O)c32)s1
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C=Cn1c(N)c(N)c2sc(=O)sc21
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C=Cc1c(O)[nH]c2sc(O)c(N)c12
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Nc1nc2cc(N)c(O)c(O)c2s1
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Nc1ccc2[nH]c(O)c(O)n12
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Nc1cc2[nH]cc(O)c2c(O)c1O
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NC(=O)c1[nH]c(N)c2cc(O)sc12
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NC(=S)N(C=O)c1ccccn1
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C=COc1ccc2[nH]c(O)c(O)n12
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c1cc2c(cnc3cnncc32)o1
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Nc1nc(N)n2c1sc1ccoc12
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Nc1ccc(Nc2ocnc2N)s1
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O=CNC(=S)Nc1ccccn1
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Nc1nc(O)cn1-c1ccsc1
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Nc1cn2c(O)c(N)sc2c1O
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O=C(Oc1ccc[nH]1)c1cncs1
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NC(=O)C=Cc1nc(=O)cco1
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Nc1cc(O)n(-c2ccsc2O)c1
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O=Cc1nocc1Oc1ncco1
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O=c1ncocc1Oc1ccoc1
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NC(=S)N1C(=O)c2cnccc21
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Nc1nc2c(s1)Oc1c[nH]cc1N2
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Nc1nc2nc3ccccc3n2s1
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Nc1cc2c([nH]c3c[nH]cc32)s1
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OC=Cc1cocc1-c1ncsn1
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Nc1ccc2ccncc2c(=O)n1
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C=COc1[nH]c2cc(N)sc2c1O
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NC(=O)Nc1cc2c(N)csn2c1
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Nc1nsc2c1cc1scc(O)n12
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Nc1c(O)sc2c1cc1sncn12
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C=c1c2cncn2c(=O)n1C(N)=S
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Nc1cc2c(N)c(O)[nH]c2s1
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Nc1nc(O)cn1-c1cscc1O
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Oc1[nH]c2c[nH]cc2c1O
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O=Cc1cnc(-c2ncns2)nc1
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Nc1c[nH]c(Nc2csc(=O)s2)c1
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Nc1c(O)sc2nc3ccsc3n12
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c1cnc(Oc2ccc[nH]2)nc1
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Nc1nc(=O)ccn1-c1cnsc1
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NC(=S)Nc1n[nH]c2ccccc12
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Nc1cc2c(OC=O)c(O)[nH]c2[nH]1
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Nc1cn(-c2[nH]ccc2N)c(=O)s1
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O=c1cnoc(-c2nccs2)n1
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Nc1ncsc1Oc1cccnn1
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C=COc1sc(O)cc1N
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C=C(C(=O)O)n1cnc2sccc21
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C=CC(=C)n1c(N)cc2cnoc21
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Nc1cc(-n2cccc2O)c(N)s1
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Nc1nsc2c1c(O)n1[nH]ccc21
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Nc1ocnc1Oc1ncccn1
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Nc1cccn1-c1cccs1
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Nc1occc1Oc1cccnn1
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C=C(N)c1c[nH]c2ccn(C=O)c12
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Nc1c[nH]c(N)c1-c1csc(=O)s1
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Nc1ccc(Oc2cccnn2)s1
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