SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
c1cc(-c2ncc(-c3sc(-c4cncc5nsnc45)c4ccoc34)s2)c2nsnc2c1 | tartarus_pce_pcbm |
c1c[se]c(-c2ccc(-c3cnc(-c4nccc5nsnc45)s3)c3ccccc23)c1 | tartarus_pce_pcbm |
C1=Cc2c(-c3scc4nccnc34)sc(-c3ccc(-c4ncncn4)c4nsnc34)c2C1 | tartarus_pce_pcbm |
c1cc2csc(-c3ccc(-c4ncc(-c5cncc6nsnc56)c5nsnc45)o3)c2[nH]1 | tartarus_pce_pcbm |
c1cc2c(cn1)c1c3cscc3c3cc(-c4cncc5nsnc45)ncc3c1c1nsnc21 | tartarus_pce_pcbm |
c1cc2c3cscc3c3cc4cc(-c5cncc6nsnc56)[nH]c4cc3c2o1 | tartarus_pce_pcbm |
c1ncc2nsnc2c1-c1cc2cnc3c(ccc4ccc5nsnc5c43)c2c2cscc12 | tartarus_pce_pcbm |
c1cc(-c2ccc(-c3ncc(-c4ncncn4)c4nsnc34)cc2)c2c[nH]cc2c1 | tartarus_pce_pcbm |
c1cnc2c(c1)ncc1c3sc(-c4nccc5nsnc45)cc3c3ccccc3c12 | tartarus_pce_pcbm |
c1cc(-c2ccc(-c3cncc4nsnc34)cn2)c2nsnc2c1 | tartarus_pce_pcbm |
C1=C(c2scc3sccc23)CC(c2cnc(-c3nccs3)c3nsnc23)=C1 | tartarus_pce_pcbm |
C1=Cc2c(c3ncc4cc(-c5cncc6nsnc56)oc4c3c3cscc23)C1 | tartarus_pce_pcbm |
c1csc(-c2ccc(-c3ccc(-c4cncc5nsnc45)c4nsnc34)nc2)c1 | tartarus_pce_pcbm |
c1cc2cnc3c(ncc4cc(-c5cncc6nsnc56)oc43)c2[nH]1 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1c3nsnc3c3cc4cc(-c5cncc6nsnc56)cnc4cc3c21 | tartarus_pce_pcbm |
c1cc2ccc3c4ncc(-c5cncc6nsnc56)cc4c4cscc4c3c2s1 | tartarus_pce_pcbm |
c1cnc2c(c1)c1nsnc1c1c2ccc2cc(-c3nccc4nsnc34)cnc21 | tartarus_pce_pcbm |
C1=Cc2csc(-c3cnc(-c4cnc(-c5ccco5)c5nsnc45)s3)c2C1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3cnc4c5c6cscc6ccc5c5cscc5c4c3o2)n1 | tartarus_pce_pcbm |
c1cc2cnc3cc4cc(-c5cncc6nsnc56)oc4cc3c2[nH]1 | tartarus_pce_pcbm |
c1cc2oc3cc4cc(-c5nccc6nsnc56)sc4cc3c2cn1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2ncc(-c3ccc(-c4scc5cc[se]c45)o3)c3nsnc23)n1 | tartarus_pce_pcbm |
c1csc(-c2sc(-c3ncc(-c4scc5[se]ccc45)c4nsnc34)c3ccsc23)n1 | tartarus_pce_pcbm |
C1=Cc2c(c3ncc4cc(-c5nccc6nsnc56)cnc4c3c3ccccc23)C1 | tartarus_pce_pcbm |
c1ccc2c(-c3sc(-c4nccc5nsnc45)c4ccoc34)ccc(-c3ncncn3)c2c1 | tartarus_pce_pcbm |
c1cc(-c2sc(-c3cnc(-c4nccc5nsnc45)s3)c3[nH]ccc23)c2nsnc2c1 | tartarus_pce_pcbm |
c1ccc(-c2cnc(-c3cnc(-c4ccc[nH]4)c4nsnc34)s2)nc1 | tartarus_pce_pcbm |
c1cncc(-c2cc3c(cn2)c2c(ccc4nsnc42)c2nsnc32)c1 | tartarus_pce_pcbm |
c1cc(-c2ccc(-c3sc(-c4cncc5nsnc45)c4ccsc34)cn2)c2cocc2c1 | tartarus_pce_pcbm |
c1nc2cc3c(cc2cc1-c1cncc2nsnc12)oc1ccc2nsnc2c13 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3ncc4c5c6cocc6ccc5c5cscc5c4c3[nH]2)n1 | tartarus_pce_pcbm |
c1cc2c(-c3cncc4nsnc34)sc(-c3ccc(-c4scc5[se]ccc45)nc3)c2s1 | tartarus_pce_pcbm |
c1c[nH]c(-c2ncc(-c3sc(-c4cncs4)c4nccnc34)s2)c1 | tartarus_pce_pcbm |
c1cnc2c(c1)ccc1cc3cc(-c4nccc5nsnc45)cnc3cc12 | tartarus_pce_pcbm |
c1cc(-c2ccc(-c3ccc(-c4cncc5nsnc45)[se]3)c3cscc23)c2nsnc2c1 | tartarus_pce_pcbm |
c1cc(-c2sc(-c3ccc(-c4nccc5nsnc45)[se]3)c3nccnc23)c2cscc2c1 | tartarus_pce_pcbm |
c1ncnc(-c2sc(-c3sc(-c4nccc5nsnc45)c4cc[nH]c34)c3occc23)n1 | tartarus_pce_pcbm |
c1cc2c(-c3ncc(-c4ncc(-c5scc6ccsc56)s4)c4nsnc34)scc2s1 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1ncc3c4cnc(-c5nccc6nsnc56)cc4c4nsnc4c3c12 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1cc(-c3nccc4nsnc34)cnc12 | tartarus_pce_pcbm |
c1c[se]c(-c2ccc(-c3ccc(-c4cncc5nsnc45)c4nsnc34)[se]2)c1 | tartarus_pce_pcbm |
c1cnc2c(c1)c1nsnc1c1c3ncc(-c4cncc5nsnc45)cc3c3cocc3c21 | tartarus_pce_pcbm |
c1ccc2c(c1)oc1c2ccc2cc(-c3nccc4nsnc34)cnc21 | tartarus_pce_pcbm |
c1cc(-c2ccc(-c3cnc(-c4nccs4)c4nsnc34)c3cocc23)c2cocc2c1 | tartarus_pce_pcbm |
c1csc(-c2sc(-c3ncc(-c4scc5sccc45)c4nsnc34)c3ccoc23)n1 | tartarus_pce_pcbm |
c1c[se]c(-c2ccc(-c3ncc(-c4cccc5nsnc45)c4nsnc34)[se]2)c1 | tartarus_pce_pcbm |
C1=Cc2c(-c3cncs3)sc(-c3sc(-c4cncc5nsnc45)c4ccsc34)c2C1 | tartarus_pce_pcbm |
C1=c2c(c3c(ccc4cc(-c5cncc6nsnc56)[nH]c43)c3ncccc23)=CC1 | tartarus_pce_pcbm |
c1ccc2c(c1)c(-c1nccc3nsnc13)cc1c3cscc3c3c4cnccc4ncc3c21 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3cnc4c([nH]c5ccc6nsnc6c54)c3c3nsnc23)n1 | tartarus_pce_pcbm |
C1=CCC(c2sc(-c3cnc(-c4cncc5nsnc45)s3)c3ccoc23)=C1 | tartarus_pce_pcbm |
c1cc2oc3cc(-c4cncc5nsnc45)cnc3c2s1 | tartarus_pce_pcbm |
c1ccc(-c2ccc(-c3cnc(-c4cccc5nsnc45)c4nsnc34)s2)cc1 | tartarus_pce_pcbm |
C1=C(c2nccc3nsnc23)Cc2c1cnc1c3ncccc3c3cscc3c21 | tartarus_pce_pcbm |
c1cnc2c(c1)[nH]c1c2ccc2cc(-c3nccc4nsnc34)[nH]c21 | tartarus_pce_pcbm |
C1=Cc2c(c3cnc4cc(-c5cncc6nsnc56)[nH]c4c3c3ccccc23)[SiH2]1 | tartarus_pce_pcbm |
c1cnc2c(-c3cnc(-c4sc(-c5cncc6nsnc56)c5cc[nH]c45)s3)scc2n1 | tartarus_pce_pcbm |
c1ncc2nsnc2c1-c1cc2c3nsnc3c3cc4ccc5cscc5c4cc3c2s1 | tartarus_pce_pcbm |
C1=Cc2c(csc2-c2cnc(-c3sc(-c4cncc5nsnc45)c4ccsc34)c3nsnc23)C1 | tartarus_pce_pcbm |
c1cnc2c(c1)c1cscc1c1cc(-c3cncc4nsnc34)[se]c12 | tartarus_pce_pcbm |
C1=Cc2c(-c3cncc4nsnc34)sc(-c3ccc(-c4cncc5nsnc45)[nH]3)c2C1 | tartarus_pce_pcbm |
c1ccc(-c2ccc(-c3nccc4nsnc34)[se]2)nc1 | tartarus_pce_pcbm |
c1ccc2c(c1)c1cc3cc(-c4cncc5nsnc45)sc3cc1c1c2ccc2nsnc21 | tartarus_pce_pcbm |
c1ccc(-c2ccc(-c3ncc(-c4scc5sccc45)c4nsnc34)s2)nc1 | tartarus_pce_pcbm |
c1cncc(-c2ccc(-c3sc(-c4cncc5nsnc45)c4ccsc34)c3cscc23)c1 | tartarus_pce_pcbm |
c1cnc2c(c1)oc1cc3cc(-c4scc5nccnc45)[se]c3cc12 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1cnc3c(oc4cc(-c5nccc6nsnc56)c5nsnc5c43)c12 | tartarus_pce_pcbm |
c1ccc2c(c1)c1nsnc1c1c3ccc(-c4cncc5nsnc45)cc3cnc21 | tartarus_pce_pcbm |
c1ncc(-c2cnc(-c3ccc(-c4scc5[se]ccc45)c4cscc34)c3nsnc23)s1 | tartarus_pce_pcbm |
c1c[se]c(-c2ncc(-c3sc(-c4cccc5nsnc45)c4nccnc34)s2)c1 | tartarus_pce_pcbm |
c1cc2c(-c3cncc4nsnc34)sc(-c3ccc(-c4cncs4)cc3)c2o1 | tartarus_pce_pcbm |
c1cc2ccc3c([se]c4cc(-c5nccc6nsnc56)c5nsnc5c43)c2cn1 | tartarus_pce_pcbm |
c1ncc2nsnc2c1-c1cc2c3cocc3c3c(ccc4ccc5cocc5c43)c2[se]1 | tartarus_pce_pcbm |
c1csc(-c2cnc(-c3sc(-c4scc5occc45)c4occc34)c3nsnc23)n1 | tartarus_pce_pcbm |
c1nc2c(cc1-c1cncc3nsnc13)c1cscc1c1cc3ccc4cscc4c3cc12 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1c3nsnc3c3cc4cc(-c5nccc6nsnc56)oc4cc3c21 | tartarus_pce_pcbm |
c1cncc(-c2ccc(-c3ncc(-c4scc5ccoc45)c4nsnc34)nc2)c1 | tartarus_pce_pcbm |
c1ccc(-c2sc(-c3sc(-c4cncs4)c4nccnc34)c3ccoc23)nc1 | tartarus_pce_pcbm |
C1=C(c2cccs2)[SiH2]C(c2cnc(-c3cncc4nsnc34)c3nsnc23)=C1 | tartarus_pce_pcbm |
C1=c2c(-c3ncncn3)ccc(-c3cnc(-c4cccs4)c4nsnc34)c2=CC1 | tartarus_pce_pcbm |
c1ccc2c(c1)c(-c1cncc3nsnc13)cc1c3cscc3c3c4cnccc4oc3c21 | tartarus_pce_pcbm |
C1=Cc2csc(-c3ccc(-c4cnc(-c5nccc6nsnc56)s4)cc3)c2[SiH2]1 | tartarus_pce_pcbm |
c1cc2c(-c3ncc(-c4ccc(-c5cncs5)cn4)c4nsnc34)scc2o1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cnc(-c3cnc(-c4scc5ccsc45)s3)s2)n1 | tartarus_pce_pcbm |
C1=Cc2cnc3c(ncc4cc(-c5cncc6nsnc56)[nH]c43)c2C1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3cnc4ccc5cocc5c4c3o2)n1 | tartarus_pce_pcbm |
c1cc2[nH]c3c(cnc4cc(-c5scc6nccnc56)sc43)c2cn1 | tartarus_pce_pcbm |
C1=Cc2c(-c3cncc4nsnc34)sc(-c3ncc(-c4ccco4)c4nsnc34)c2C1 | tartarus_pce_pcbm |
c1ncc2nsnc2c1-c1cc2cnc3ccc4nsnc4c3c2c2cscc12 | tartarus_pce_pcbm |
C1=C[SiH2]C(c2cnc(-c3ncc(-c4ccccn4)c4nsnc34)s2)=C1 | tartarus_pce_pcbm |
c1ccc2c(-c3cnc(-c4ccc(-c5cncs5)nc4)c4nsnc34)cccc2c1 | tartarus_pce_pcbm |
C1=Cc2csc(-c3sc(-c4cnc(-c5nccc6nsnc56)s4)c4ccsc34)c2[SiH2]1 | tartarus_pce_pcbm |
c1ncc(-c2ccc(-c3cnc(-c4scc5cc[se]c45)c4nsnc34)nc2)s1 | tartarus_pce_pcbm |
c1cc2c3c[nH]cc3c3c4sc(-c5cncc6nsnc56)cc4sc3c2cn1 | tartarus_pce_pcbm |
c1csc(-c2sc(-c3sc(-c4ncncn4)c4[nH]ccc34)c3nccnc23)c1 | tartarus_pce_pcbm |
C1=Cc2csc(-c3ncc(-c4ccc(-c5ncncn5)o4)c4nsnc34)c2C1 | tartarus_pce_pcbm |
c1cc2c(-c3ncc(-c4cnc(-c5scc6[se]ccc56)c5nsnc45)s3)scc2o1 | tartarus_pce_pcbm |
c1cc(-c2cnc(-c3ccc(-c4cncc5nsnc45)cc3)s2)c2cscc2c1 | tartarus_pce_pcbm |
C1=Cc2ncc3c(ccc4cc(-c5cncc6nsnc56)cnc43)c2[SiH2]1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3c(cn2)c2c4nsnc4c4ccoc4c2c2nsnc32)n1 | tartarus_pce_pcbm |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.