SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
Nc1cncn1C=Cc1ccsn1 | tartarus_tadf |
Nc1cocc1-c1[nH]c(=O)sc1O | tartarus_tadf |
NC(=O)n1c(=O)ccc2csnc21 | tartarus_tadf |
O=COc1ccnc2cnncc12 | tartarus_tadf |
O=c1cc(O)oc2cc(O)cnc12 | tartarus_tadf |
O=c1[nH]cc(Nc2cocn2)s1 | tartarus_tadf |
Nc1nc2c(s1)c(O)c1ccon12 | tartarus_tadf |
C=CC(=O)c1noc2onc(N)c12 | tartarus_tadf |
Nc1cnc(-c2c[nH]c(N)c2)nc1 | tartarus_tadf |
C=CC(=O)c1cc(O)cnn1 | tartarus_tadf |
Oc1ccc(Nc2ccsc2)[nH]1 | tartarus_tadf |
C=COc1[nH]c(=O)n2cnsc12 | tartarus_tadf |
C=Cc1cc2c3ccsc3sn2c1 | tartarus_tadf |
O=c1ccc(=O)n2cnsc2n1 | tartarus_tadf |
O=c1ccoc(-c2ncsn2)c1 | tartarus_tadf |
C=Cc1nc(=O)c2ccc(O)n2o1 | tartarus_tadf |
c1ncnc(-c2ccc(-c3ccc(-c4nccc5nsnc45)nc3)cc2)n1 | tartarus_pce_pcbm |
c1cncc(-c2sc(-c3cnc(-c4cccc5nsnc45)s3)c3nccnc23)c1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cnc3c(ccc4c3cnc3ccc5nsnc5c34)c2)n1 | tartarus_pce_pcbm |
c1cc2ncc3cc4cc(-c5scc6nccnc56)sc4cc3c2cn1 | tartarus_pce_pcbm |
c1ncnc(-c2ccc(-c3ccc(-c4scc5nccnc45)cn3)cn2)n1 | tartarus_pce_pcbm |
c1ccc2c(c1)c1cc(-c3cncc4nsnc34)sc1c1ccc3ccncc3c21 | tartarus_pce_pcbm |
c1cncc(-c2ncc(-c3ccc(-c4scc5sccc45)cn3)c3nsnc23)c1 | tartarus_pce_pcbm |
c1ccc(-c2cnc(-c3ncc(-c4cccc5cocc45)c4nsnc34)s2)nc1 | tartarus_pce_pcbm |
C1=CCC(c2ccc(-c3sc(-c4ncncn4)c4nccnc34)s2)=C1 | tartarus_pce_pcbm |
c1cc2ncc3c4cnc(-c5cncc6nsnc56)cc4cnc3c2[nH]1 | tartarus_pce_pcbm |
c1cc(-c2sc(-c3ccc(-c4ncncn4)c4nsnc34)c3ccsc23)c2nsnc2c1 | tartarus_pce_pcbm |
c1cncc(-c2ccc(-c3ccc(-c4ncncn4)c4nsnc34)s2)c1 | tartarus_pce_pcbm |
c1cc2ncc3cc4cc(-c5cncc6nsnc56)cnc4cc3c2[nH]1 | tartarus_pce_pcbm |
c1ccc(-c2ncc(-c3ncc(-c4scc5[se]ccc45)s3)c3nsnc23)cc1 | tartarus_pce_pcbm |
c1ccc(-c2ccc(-c3cnc(-c4nccs4)c4nsnc34)c3cscc23)nc1 | tartarus_pce_pcbm |
c1coc(-c2cnc(-c3ccc(-c4nccc5nsnc45)c4nsnc34)s2)c1 | tartarus_pce_pcbm |
c1cc2[nH]c3c4ncc(-c5cncc6nsnc56)cc4cnc3c2o1 | tartarus_pce_pcbm |
c1ccc(-c2sc(-c3cnc(-c4cncs4)c4nsnc34)c3cc[se]c23)cc1 | tartarus_pce_pcbm |
c1cc2c(-c3ccc(-c4ccc(-c5cncc6nsnc56)cn4)cn3)scc2[se]1 | tartarus_pce_pcbm |
c1c[se]c(-c2ccc(-c3cnc(-c4nccc5nsnc45)c4nsnc34)cc2)c1 | tartarus_pce_pcbm |
c1cncc(-c2cnc(-c3ccc(-c4cncs4)o3)c3nsnc23)c1 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1ncc3cc4cc(-c5scc6nccnc56)[se]c4cc3c12 | tartarus_pce_pcbm |
c1ccc2c(-c3nccs3)ccc(-c3ccc(-c4cncc5nsnc45)cn3)c2c1 | tartarus_pce_pcbm |
c1ccc2c(-c3ncc(-c4nccc5nsnc45)c4nsnc34)cccc2c1 | tartarus_pce_pcbm |
c1cnc2c(-c3ccc(-c4ncc(-c5cncs5)c5nsnc45)[nH]3)scc2n1 | tartarus_pce_pcbm |
C1=Cc2csc(-c3cnc(-c4cnc(-c5ccccn5)c5nsnc45)c4nsnc34)c2C1 | tartarus_pce_pcbm |
c1ccc2c(c1)ncc1c2sc2cc(-c3nccc4nsnc34)c3nsnc3c21 | tartarus_pce_pcbm |
C1=Cc2c(csc2-c2ccc(-c3ncc(-c4nccc5nsnc45)c4nsnc34)cn2)C1 | tartarus_pce_pcbm |
c1cc(-c2ncc(-c3ccc(-c4cncs4)[se]3)c3nsnc23)c2cocc2c1 | tartarus_pce_pcbm |
c1ccc2c(c1)c1cnc3cc(-c4cncc5nsnc45)cnc3c1c1nsnc21 | tartarus_pce_pcbm |
C1=c2cccc(-c3ccc4c(cnc5c4ccc4cc[se]c45)c3)c2=CC1 | tartarus_pce_pcbm |
C1=C(c2cncc3nsnc23)Cc2c1cnc1cc3ccncc3cc21 | tartarus_pce_pcbm |
c1ccc(-c2sc(-c3cnc(-c4nccc5nsnc45)s3)c3[se]ccc23)nc1 | tartarus_pce_pcbm |
c1ccc(-c2cnc(-c3ccc(-c4cncs4)o3)c3nsnc23)nc1 | tartarus_pce_pcbm |
c1ncnc(-c2ccc(-c3sc(-c4cncc5nsnc45)c4cc[nH]c34)cn2)n1 | tartarus_pce_pcbm |
c1cncc(-c2ccc(-c3ncc(-c4ccco4)c4nsnc34)[se]2)c1 | tartarus_pce_pcbm |
c1ccc(-c2cnc(-c3sc(-c4cccnc4)c4[se]ccc34)c3nsnc23)nc1 | tartarus_pce_pcbm |
c1cc(-c2ncc(-c3ccc(-c4scc5sccc45)cn3)c3nsnc23)c2nsnc2c1 | tartarus_pce_pcbm |
c1cnc2c(-c3scc4sccc34)sc(-c3ccc(-c4cncs4)nc3)c2n1 | tartarus_pce_pcbm |
c1csc(-c2ccc(-c3ccc(-c4cncc5nsnc45)o3)c3nsnc23)n1 | tartarus_pce_pcbm |
c1cc2sc3c(cnc4cc(-c5scc6nccnc56)cnc43)c2cn1 | tartarus_pce_pcbm |
c1ccc2c(c1)c1cc(-c3nccc4nsnc34)cnc1c1ccc3ccncc3c21 | tartarus_pce_pcbm |
c1nc2c(cc1-c1cncc3nsnc13)c1cscc1c1c2cnc2ccc3nsnc3c21 | tartarus_pce_pcbm |
c1cncc(-c2cnc(-c3ccc(-c4cccs4)c4nsnc34)c3nsnc23)c1 | tartarus_pce_pcbm |
c1coc(-c2ncc(-c3ncc(-c4cccc5cscc45)s3)c3nsnc23)c1 | tartarus_pce_pcbm |
c1cc2cc3cc4oc(-c5cncc6nsnc56)cc4cc3cc2[se]1 | tartarus_pce_pcbm |
c1ccc2c(c1)c1ccccc1c1c(-c3ncc(-c4cncc5nsnc45)s3)scc21 | tartarus_pce_pcbm |
c1ccc2c(c1)ncc1c3ncc(-c4nccc5nsnc45)cc3c3ccccc3c21 | tartarus_pce_pcbm |
c1csc(-c2ncc(-c3ccc(-c4ncncn4)c4cocc34)c3nsnc23)c1 | tartarus_pce_pcbm |
C1=c2c(c3c4cnccc4ncc3c3c2cc(-c2nccc4nsnc24)c2nsnc23)=CC1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2ccc(-c3sc(-c4scc5nccnc45)c4ccsc34)cn2)n1 | tartarus_pce_pcbm |
c1cncc(-c2ccc(-c3sc(-c4scc5sccc45)c4nccnc34)cn2)c1 | tartarus_pce_pcbm |
c1ccc2c(c1)c1ccncc1c1ccc3cc(-c4nccc5nsnc45)oc3c21 | tartarus_pce_pcbm |
c1csc(-c2ccc(-c3ncc(-c4scc5nccnc45)c4nsnc34)c3ccccc23)c1 | tartarus_pce_pcbm |
C1=CCC(c2ccc(-c3ncc(-c4cncc5nsnc45)s3)cn2)=C1 | tartarus_pce_pcbm |
c1coc(-c2ccc(-c3cnc(-c4nccc5nsnc45)c4nsnc34)c3cscc23)c1 | tartarus_pce_pcbm |
c1cnc2c(-c3ccc(-c4ccc(-c5cncc6nsnc56)[nH]4)cn3)scc2n1 | tartarus_pce_pcbm |
C1=Cc2c(-c3cccc4cocc34)sc(-c3ncc(-c4ncncn4)c4nsnc34)c2C1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2sc(-c3scc4nccnc34)c3ccoc23)n1 | tartarus_pce_pcbm |
c1cnc2c(-c3cnc(-c4scc5cc[se]c45)s3)sc(-c3cncs3)c2n1 | tartarus_pce_pcbm |
c1cc2cc3c(cc2o1)c1[nH]c(-c2cncc4nsnc24)cc1c1nsnc31 | tartarus_pce_pcbm |
c1cc2[nH]c3c(ncc4cc(-c5cncc6nsnc56)c5cocc5c43)c2cn1 | tartarus_pce_pcbm |
c1cc2cnc3c(ncc4cc(-c5scc6nccnc56)sc43)c2cn1 | tartarus_pce_pcbm |
C1=C[SiH2]C(c2ccc(-c3cnc(-c4nccs4)c4nsnc34)nc2)=C1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3cc4c(cc3[nH]2)c2c3cocc3ccc2c2nsnc42)n1 | tartarus_pce_pcbm |
c1coc(-c2cnc(-c3ccc(-c4nccs4)nc3)c3nsnc23)c1 | tartarus_pce_pcbm |
c1cc(-c2cncc3nsnc23)sc1-c1ccc(-c2cncc3nsnc23)c2cocc12 | tartarus_pce_pcbm |
c1ccc2c(c1)ncc1cc3cc(-c4nccc5nsnc45)c4nsnc4c3cc12 | tartarus_pce_pcbm |
c1ncnc(-c2sc(-c3ncc(-c4scc5ccsc45)c4nsnc34)c3[nH]ccc23)n1 | tartarus_pce_pcbm |
C1=CCC(c2sc(-c3ncc(-c4nccc5nsnc45)s3)c3nccnc23)=C1 | tartarus_pce_pcbm |
C1=C(c2nccc3nsnc23)CC(c2ncc(-c3ccco3)c3nsnc23)=C1 | tartarus_pce_pcbm |
c1ncnc(-c2cnc3c(c2)ncc2ccc4nsnc4c23)n1 | tartarus_pce_pcbm |
c1cc(-c2ncc(-c3ncc(-c4ncncn4)s3)c3nsnc23)c2c[nH]cc2c1 | tartarus_pce_pcbm |
c1cncc(-c2ncc(-c3ccc(-c4scc5ccsc45)cn3)c3nsnc23)c1 | tartarus_pce_pcbm |
c1cnc2c(-c3ccc(-c4ccc(-c5cncs5)c5nsnc45)[se]3)scc2n1 | tartarus_pce_pcbm |
c1coc(-c2sc(-c3cnc(-c4scc5nccnc45)s3)c3nccnc23)c1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3sc4cc5ccoc5cc4c3[se]2)n1 | tartarus_pce_pcbm |
c1cnc2c(c1)ccc1c3sc(-c4cncc5nsnc45)cc3sc12 | tartarus_pce_pcbm |
c1c[se]c(-c2cnc(-c3ccc(-c4cncs4)c4cocc34)c3nsnc23)c1 | tartarus_pce_pcbm |
c1ccc(-c2cnc(-c3cnc(-c4cccc5cscc45)c4nsnc34)s2)cc1 | tartarus_pce_pcbm |
c1cc2c(-c3ncc(-c4cncs4)c4nsnc34)sc(-c3scc4sccc34)c2o1 | tartarus_pce_pcbm |
c1cc(-c2cnc(-c3ccc(-c4cncc5nsnc45)o3)s2)c2cscc2c1 | tartarus_pce_pcbm |
C1=CCC(c2ncc(-c3cnc(-c4cccc5nsnc45)c4nsnc34)s2)=C1 | tartarus_pce_pcbm |
c1ccc2c(c1)[se]c1c3c(cc(-c4scc5nccnc45)c4nsnc43)c3nsnc3c21 | tartarus_pce_pcbm |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.