SMILES
stringlengths
11
220
Source
stringclasses
16 values
C=COc1sc2[nH]nc(N)c2c1O
tartarus_tadf
C=C(C=O)c1noc(N)nc1=O
tartarus_tadf
Nc1ccc2occocnn12
tartarus_tadf
Nc1nnc(N)n1-c1ccccc1
tartarus_tadf
Nc1cc(Nc2ccc(N)s2)on1
tartarus_tadf
O=Cn1c(=O)ccc2cscc21
tartarus_tadf
O=Cc1nnc(Oc2ccco2)s1
tartarus_tadf
Nc1cc(O)sc1-n1ccoc1=O
tartarus_tadf
Nc1ncnc(=O)c2occc12
tartarus_tadf
Nc1coc2c1c(N)c1sncn12
tartarus_tadf
C=CC(=C)n1cnc2cc(N)oc21
tartarus_tadf
Oc1cnc2cncnc2c1
tartarus_tadf
Nc1cc2c([nH]1)[nH]c1sc(=O)oc12
tartarus_tadf
Nc1cc(O)sc1Nc1cocn1
tartarus_tadf
C=C1C(=O)Oc2ccnnc21
tartarus_tadf
Nc1cc(-n2ccnc2)c(N)s1
tartarus_tadf
C=C1OC(=O)c2c1occc2=O
tartarus_tadf
Nc1cccn1-c1cocn1
tartarus_tadf
Nc1ccc(Oc2nscc2O)[nH]1
tartarus_tadf
Nc1c(C=O)nc2sc(O)cn12
tartarus_tadf
Nc1cc2c(=O)c(C=O)coc2[nH]1
tartarus_tadf
O=CNc1cnc2ncccc2n1
tartarus_tadf
Nc1cc(C=O)cn1-c1cnsc1
tartarus_tadf
Nc1cc(NC=O)c2sccn12
tartarus_tadf
NC(=O)C=Cc1cc(=O)nco1
tartarus_tadf
Nc1c(O)c2sccn2c1O
tartarus_tadf
Nc1ccn(-c2sc(O)cc2N)c1
tartarus_tadf
O=Cc1cccc2scc(C=O)c12
tartarus_tadf
C=C(C=O)c1cnc2ocnc2n1
tartarus_tadf
C=Cc1nc(Oc2ncc[nH]2)no1
tartarus_tadf
O=Cc1cncc2ncc(=O)oc12
tartarus_tadf
O=Cc1coc2c3cnsc3nn12
tartarus_tadf
Nc1c(O)ccn1-c1ccsn1
tartarus_tadf
Nc1c(O)sc2[nH]c3[nH]ccc3c12
tartarus_tadf
Nc1nc(-n2ccc(O)c2N)cs1
tartarus_tadf
c1ncc2cc3occc3nc2n1
tartarus_tadf
O=CNC(=S)n1ccc2n[nH]cc21
tartarus_tadf
NC(=S)n1ccc2c(C=O)[nH]nc21
tartarus_tadf
Nc1cnn2c1sc1cc(O)sc12
tartarus_tadf
O=Cc1nncc2ccoc12
tartarus_tadf
O=Cc1csc2c(C=O)ccnc12
tartarus_tadf
C=COc1c(N)sc2[nH]c(=O)oc12
tartarus_tadf
Nc1cc(Nc2ccc(N)s2)co1
tartarus_tadf
C=Cc1nc(=O)c(=C)c(=C)c(=O)o1
tartarus_tadf
Nc1ncc2[nH]c3csc(O)c3n12
tartarus_tadf
Nc1[nH]c2c([nH]c3[nH]ccc32)c1O
tartarus_tadf
C=Cc1ncc2ncc(O)cc2n1
tartarus_tadf
NC(=O)C=Cc1nc(=O)cc[nH]1
tartarus_tadf
O=Cc1coc2ncncc2c1=O
tartarus_tadf
Nc1nc(Nc2ccoc2N)cs1
tartarus_tadf
Nc1sc(O)c2c1[nH]c1cocc12
tartarus_tadf
C=COc1csn2cc(N)cc12
tartarus_tadf
O=Cc1cc2ncncc2n1C=O
tartarus_tadf
C=Cn1c(=O)sc2c(N)[nH]c(O)c21
tartarus_tadf
Nc1ccn(-c2cc(O)sc2N)c1
tartarus_tadf
Nc1nc(-c2cc[nH]c2O)c(N)s1
tartarus_tadf
O=c1ncoc2ncc(O)nc12
tartarus_tadf
O=c1cc[nH]c2cccnc12
tartarus_tadf
O=Cc1conc1-c1ncncn1
tartarus_tadf
C=Cc1nc(=O)ccn1C(N)=S
tartarus_tadf
C=Cc1nc(=O)n(C=C)cnc1=O
tartarus_tadf
NC(=S)n1ccc(=O)c2conc21
tartarus_tadf
Nc1cc(O)n(-c2ccc(O)s2)c1
tartarus_tadf
Nc1cc(O)sc1-n1cc[nH]c1=O
tartarus_tadf
Oc1cc(-c2c[nH]cn2)c(O)s1
tartarus_tadf
O=Cc1csnc1Oc1ncc[nH]1
tartarus_tadf
NC(=S)Nc1cncc2sncc12
tartarus_tadf
Nc1c2[nH]ccc2n2cnsc12
tartarus_tadf
O=c1oc2cccn2c2cnoc12
tartarus_tadf
Nc1sc(Nc2cc[nH]c2)cc1O
tartarus_tadf
NC(=S)n1cccc1-c1nnco1
tartarus_tadf
C=CC(=O)Nc1c[nH]n2cccc12
tartarus_tadf
O=c1ncnc(-c2cncnc2)o1
tartarus_tadf
Nc1nc2cc3[nH]cc(O)n3c2s1
tartarus_tadf
O=c1ncccc2cncnc12
tartarus_tadf
Nc1nc(-c2cocc2N)c(N)s1
tartarus_tadf
NC(=O)c1cn(C=O)cnc1=O
tartarus_tadf
Oc1ccc(Oc2ccsn2)[nH]1
tartarus_tadf
O=Cc1ncncc1-c1ncns1
tartarus_tadf
O=Cc1ncn2sc3occc3c12
tartarus_tadf
Nc1cnc(Nc2ccsc2N)s1
tartarus_tadf
O=Cc1ncccc1-c1nccs1
tartarus_tadf
Nc1sc(N)c2c1oc1cccn12
tartarus_tadf
Nc1c[nH]c2[nH]c3c(O)snc3c12
tartarus_tadf
Nc1ccc(Oc2cc(N)sn2)[nH]1
tartarus_tadf
C=C(C=O)c1cc(O)cnn1
tartarus_tadf
Nc1cc2c(N)c[nH]c2s1
tartarus_tadf
Nc1nc(=O)ccc2csnc12
tartarus_tadf
NC(=S)Nc1cnc2ncoc2c1
tartarus_tadf
Nc1cc2c([nH]1)sc1[nH]cc(N)c12
tartarus_tadf
C=Cc1coc2nc(N)c(C=C)n12
tartarus_tadf
Oc1[nH]cc(Nc2c[nH]cn2)c1O
tartarus_tadf
Nc1cc2oc3sc(=O)sc3n2c1
tartarus_tadf
Nc1cc(Oc2cnsc2)oc1O
tartarus_tadf
Nc1nc(=O)c2c(=O)ccoc2[nH]1
tartarus_tadf
O=Cc1cscc1-n1ccoc1=O
tartarus_tadf
Nc1ccn2c1-c1c-2nsc1N
tartarus_tadf
Nc1ccc(O)n1-c1cccs1
tartarus_tadf
Nc1sccc1Oc1cnncn1
tartarus_tadf
C=Cc1cc(=O)c2cccnc2o1
tartarus_tadf