SMILES
stringlengths
11
220
Source
stringclasses
16 values
Nc1sc2c(N)[nH]c(O)c2c1O
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Nc1nc2[nH]n3cc(O)cc3c2s1
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C=Cn1ncc2c(C=O)nncc21
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Nc1c(O)cc2scc(OC=O)n12
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Nc1cc(O)c(Nc2ncco2)s1
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O=C(O)n1c(=S)[nH]c2ncccc21
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C=C(C(=O)O)n1ccc2[nH]ccc21
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O=c1ccc2ncnn2c(O)c1
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Nc1cc2nc3cccnc3n2s1
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Nc1cc(O)c(-n2cccc2N)s1
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C=COc1[nH]c(=O)n2ccsc12
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Nc1nc2c(s1)Oc1cscc1N2
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Nc1c[nH]c(Oc2csc(=O)o2)c1
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C=COc1cc2nc(O)cn2s1
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O=Cc1scnc1-c1c[nH]cn1
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Nc1cnc(-n2cccc2N)s1
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NC(=O)c1nnc(C=O)cc1O
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C=COc1cc(=O)cc(C=C)o1
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Nc1cc(Nc2ccc(O)s2)ns1
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Nc1occc1-c1nsc(O)c1O
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Nc1c(O)nc(N)c2sc(O)cc12
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NC(=S)Nc1nccc2ccoc12
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C=COc1c(N)sc2[nH]cnc12
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O=C(Oc1ncc[nH]1)c1nccs1
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O=CC=Cn1c(=S)[nH]c2csnc21
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NC(=S)n1ccnc1-c1ccsn1
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C=CC(=O)Oc1cocnnc[nH]1
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O=CNc1nccnc1C=O
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Nc1cc2[nH]c(OC=O)cn2c1N
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C=COc1c(O)[nH]c2cc(N)sc12
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Nc1coc2c1nc1cc(O)sn12
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Nc1cc2oc3c(O)ccn3c2s1
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O=c1oc2cncn2c(=O)c1=CO
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C=Cc1ccn2c1sn1cnnc12
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C=CC(=O)c1cc2cnncc2o1
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NC(=S)n1ccc(-c2ncno2)c1
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Nc1cc(-c2coc(C=O)n2)sn1
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O=C(Nc1ncc[nH]1)c1ccsn1
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C=C(C=O)Oc1n[nH]c2nocc12
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C=Cc1nnc2c3ncoc3sn12
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O=c1ncn2c(n1)-c1ccncc1-2
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Nc1c[nH]c(Nc2csc(=O)o2)c1
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O=Cc1cc(O)cnn1
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Nc1[nH]sc2ncc(C(=O)O)c1-2
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C=C(C=O)Oc1nnc2ccon12
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Nc1cc2c([nH]c3n[nH]cc32)s1
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Nc1snc2c1-c1cc(O)cn1-2
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Nc1cscc1-n1cc(O)cc1O
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Nc1ccn(-c2nsc(O)c2O)c1
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C=c1c(=CC=O)cnc(=O)[nH]c1=O
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C=Cc1nc(=O)cnc(=O)n1C=C
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Nc1c[nH]c(=O)n1-c1cscc1O
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Nc1ccc(Oc2ncc(N)s2)[nH]1
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C=Cc1c(N)nc2sc(O)cn12
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C=Cc1ncc2ncc(N)cc2n1
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C=Cn1c(C=O)nc2c(N)csc21
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O=Cc1ccc(-c2nncs2)nn1
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c1cc2cnncc2cn1
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C=CN(C(N)=S)c1ccccn1
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C=Cc1cc(-c2cscc2N)no1
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Nc1sc(O)c2c1-c1nccn1-2
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Nc1cc2[nH]cc(O)c2c(O)c1N
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NC(=O)c1cc(O)cnc1C=O
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Nc1cocc1Nc1ccc(O)s1
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Nc1[nH]cc2c1cc1sncn12
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C=C(C=O)C(=O)c1ccncc1
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Oc1cncn1-c1ccccn1
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O=Cc1cnccc1-c1ccno1
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O=C(O)c1cccc2cnncc12
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NC(=S)Nc1nncc2occc12
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Nc1cc2c([nH]c3c(O)[nH]cc32)s1
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Nc1nc(Oc2[nH]ccc2O)cs1
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C=CC(=O)n1ccc2c(N)nsc21
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Nc1occc1Oc1ncsn1
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Nc1c[nH]cc1N=Cn1cccc1
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Oc1nc(Nc2ccc[nH]2)[nH]c1O
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Nc1csc(-n2ccnc2C=O)c1
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Nc1sc(O)c(N)c1-c1cnoc1
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Nc1cc(-c2cc[nH]n2)c(N)s1
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Nc1csc2[nH]cc(C(=O)O)c12
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NC(=S)Nc1ccnc2scnc12
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Nc1c(O)sc2[nH]c3scnc3c12
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Nc1cn(-c2cccnn2)cc1O
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S=C(Nc1ccns1)n1ccnc1
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Nc1ccc(Oc2cscn2)s1
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Nc1sc(O)c2c1-c1cncn1-2
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C=Cc1nc(-c2nocc2N)ns1
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Nc1cc2c([nH]c3c(N)noc32)s1
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Nc1[nH]c2oc3scnc3c2c1O
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O=COc1cn2cnc(O)c2[nH]1
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Oc1[nH]sc2nc3ncsc3c1-2
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O=CNc1cnc(C=O)cn1
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Nc1occ(O)c1-c1cncnc1
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Nc1ncn(-c2cccnc2)c1N
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Nc1cc2[nH]c3cccn3c2s1
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O=Cn1c(=O)ncc2ccncc21
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C=COc1nsc2c(O)ncn12
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O=c1nc[nH]c2ocnc(=O)c12
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Nc1[nH]c(O)cc1Oc1ccsn1
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Nc1csc2c1ncc1scnc12
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