SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
c1csc(-c2ccc(-c3ccc(-c4cncc5nsnc45)cn3)c3nsnc23)c1 | tartarus_pce_pcbm |
C1=c2c(-c3nccs3)ccc(-c3cnc(-c4cncs4)c4nsnc34)c2=CC1 | tartarus_pce_pcbm |
c1cnc2cc3c(cc2c1)ncc1cc(-c2nccs2)c2nsnc2c13 | tartarus_pce_pcbm |
c1cc(-c2cnc(-c3sc(-c4cncc5nsnc45)c4cc[se]c34)s2)c2cocc2c1 | tartarus_pce_pcbm |
c1cc(-c2ccc(-c3ncc(-c4nccc5nsnc45)s3)c3nsnc23)c2cscc2c1 | tartarus_pce_pcbm |
c1cnc2c(-c3cnc4cc5c(cnc6ccoc65)cc4c3)scc2n1 | tartarus_pce_pcbm |
c1csc(-c2sc(-c3ccc(-c4nccc5nsnc45)nc3)c3sccc23)n1 | tartarus_pce_pcbm |
c1ccc2c(-c3ccc(-c4ccc(-c5cncc6nsnc56)cn4)o3)cccc2c1 | tartarus_pce_pcbm |
c1csc(-c2sc(-c3cnc(-c4scc5occc45)c4nsnc34)c3ccsc23)n1 | tartarus_pce_pcbm |
c1cc2ncc3c(oc4cc(-c5cncc6nsnc56)c5nsnc5c43)c2[nH]1 | tartarus_pce_pcbm |
C1=c2cccc(-c3sc(-c4cnc(-c5nccc6nsnc56)s4)c4nccnc34)c2=CC1 | tartarus_pce_pcbm |
C1=c2ccc3ncc4c5ncc(-c6cncc7nsnc67)cc5[se]c4c3c2=CC1 | tartarus_pce_pcbm |
c1csc(-c2ncc(-c3sc(-c4scc5ccsc45)c4ccsc34)c3nsnc23)n1 | tartarus_pce_pcbm |
c1cncc(-c2sc(-c3ncc(-c4nccc5nsnc45)s3)c3occc23)c1 | tartarus_pce_pcbm |
c1ccc2c(c1)[se]c1c3[se]c(-c4cncc5nsnc45)cc3c3ccccc3c21 | tartarus_pce_pcbm |
c1cc(-c2cnc(-c3cnc(-c4scc5cc[se]c45)c4nsnc34)s2)c2cscc2c1 | tartarus_pce_pcbm |
C1=c2c(-c3cccc4cscc34)ccc(-c3ncc(-c4ncncn4)c4nsnc34)c2=CC1 | tartarus_pce_pcbm |
c1cnc2cc3cc(-c4cncc5nsnc45)ccc3cc2c1 | tartarus_pce_pcbm |
c1cnc2c(c1)c1cocc1c1c2ncc2cc(-c3cncc4nsnc34)c3cocc3c21 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3ncc4c5c(ccc6nsnc65)c5c[nH]cc5c4c3[se]2)n1 | tartarus_pce_pcbm |
C1=Cc2c(csc2-c2ncc(-c3ccc(-c4cncc5nsnc45)nc3)c3nsnc23)C1 | tartarus_pce_pcbm |
C1=c2ccc3sc4c(ncc5cc(-c6cncc7nsnc67)oc54)c3c2=C[SiH2]1 | tartarus_pce_pcbm |
C1=C(c2nccc3nsnc23)Cc2c1ncc1c2cnc2ccccc21 | tartarus_pce_pcbm |
C1=Cc2c(c3cc4sc(-c5cncc6nsnc56)cc4cc3c3nsnc23)[SiH2]1 | tartarus_pce_pcbm |
c1ccc(-c2sc(-c3ncc(-c4cccc5cocc45)c4nsnc34)c3nccnc23)nc1 | tartarus_pce_pcbm |
c1cnc2c(-c3ccc(-c4cncs4)nc3)scc2n1 | tartarus_pce_pcbm |
c1ccc2c(c1)ncc1c2[nH]c2cc(-c3cncc4nsnc34)sc21 | tartarus_pce_pcbm |
c1cnc2c(c1)cnc1c2c2ccccc2c2cc(-c3cncc4nsnc34)c3nsnc3c21 | tartarus_pce_pcbm |
c1ccc2c(c1)c1cc(-c3nccc4nsnc34)ncc1c1oc3ccc4nsnc4c3c21 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3c4nsnc4c4c(sc5ccc6cscc6c54)c3s2)n1 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1c3nsnc3c3c4[nH]c(-c5cncc6nsnc56)cc4sc3c21 | tartarus_pce_pcbm |
C1=Cc2csc(-c3cnc(-c4ncc(-c5ccco5)c5nsnc45)c4nsnc34)c2C1 | tartarus_pce_pcbm |
C1=Cc2c(csc2-c2sc(-c3ncc(-c4nccs4)s3)c3nccnc23)C1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2sc(-c3ncc(-c4scc5sccc45)s3)c3occc23)n1 | tartarus_pce_pcbm |
C1=C(c2cncs2)CC(c2ccc(-c3ncncn3)c3nsnc23)=C1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2sc(-c3cnc(-c4scc5ccoc45)c4nsnc34)c3occc23)n1 | tartarus_pce_pcbm |
c1cc2sc3c4cnc(-c5cncc6nsnc56)cc4[nH]c3c2cn1 | tartarus_pce_pcbm |
C1=C(c2nccc3nsnc23)[SiH2]C(c2ncc(-c3scc4occc34)c3nsnc23)=C1 | tartarus_pce_pcbm |
c1cc2csc(-c3ccc(-c4ccc(-c5cncc6nsnc56)[se]4)cc3)c2[se]1 | tartarus_pce_pcbm |
c1ncc2nsnc2c1-c1cc2c3cocc3c3c(oc4ccc5cocc5c43)c2[se]1 | tartarus_pce_pcbm |
c1cnc2c(c1)[nH]c1cc(-c3cncc4nsnc34)ccc12 | tartarus_pce_pcbm |
c1ccc2c(c1)c1ccoc1c1oc3cc(-c4cncc5nsnc45)[nH]c3c21 | tartarus_pce_pcbm |
c1cncc(-c2cnc(-c3sc(-c4cccc5cocc45)c4sccc34)c3nsnc23)c1 | tartarus_pce_pcbm |
c1cc2[se]c3c4ncc(-c5scc6nccnc56)cc4sc3c2cn1 | tartarus_pce_pcbm |
C1=Cc2c(-c3scc4nccnc34)sc(-c3cnc(-c4cccnc4)c4nsnc34)c2[SiH2]1 | tartarus_pce_pcbm |
c1csc(-c2cnc(-c3ccc(-c4cncs4)c4cocc34)c3nsnc23)c1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2ccc(-c3ncc(-c4scc5sccc45)s3)cc2)n1 | tartarus_pce_pcbm |
c1cc2nsnc2c(-c2cc3ncc4c5sccc5c5cscc5c4c3o2)n1 | tartarus_pce_pcbm |
c1nc2c(cc1-c1cncc3nsnc13)[se]c1c2ccc2ccc3cocc3c21 | tartarus_pce_pcbm |
c1cnc2c(-c3cnc4c(c3)oc3c4cnc4ccoc43)scc2n1 | tartarus_pce_pcbm |
c1ccc2c(c1)c1ccccc1c1c2ncc2cc(-c3nccc4nsnc34)c3nsnc3c21 | tartarus_pce_pcbm |
c1cnc2c(-c3ccc(-c4sc(-c5scc6sccc56)c5nccnc45)nc3)scc2n1 | tartarus_pce_pcbm |
C1=c2c(c3c4cnccc4sc3c3cnc(-c4nccc5nsnc45)cc23)=CC1 | tartarus_pce_pcbm |
c1cnc2c(c1)cnc1c2ccc2cc(-c3cncc4nsnc34)c3nsnc3c21 | tartarus_pce_pcbm |
C1=Cc2c(-c3cncc4nsnc34)sc(-c3ccc(-c4nccc5nsnc45)cn3)c2C1 | tartarus_pce_pcbm |
c1ncnc(-c2sc(-c3scc4nccnc34)c3cc[nH]c23)n1 | tartarus_pce_pcbm |
c1cncc(-c2ccc(-c3sc(-c4ccc[se]4)c4nccnc34)o2)c1 | tartarus_pce_pcbm |
C1=C(c2nccc3nsnc23)Cc2c1cnc1c2cnc2ccoc21 | tartarus_pce_pcbm |
c1cnc2c(-c3cc4[nH]c5c(cnc6ccsc65)c4[se]3)scc2n1 | tartarus_pce_pcbm |
C1=c2c(c3c(ccc4cc(-c5cncc6nsnc56)[nH]c43)c3ncccc23)=C[SiH2]1 | tartarus_pce_pcbm |
c1ccc2c(c1)ccc1[se]c3c4ncc(-c5scc6nccnc56)cc4cnc3c12 | tartarus_pce_pcbm |
c1cc2cnc3c4ncc(-c5cncc6nsnc56)cc4c4cocc4c3c2[se]1 | tartarus_pce_pcbm |
c1csc(-c2sc(-c3ccc(-c4scc5ccoc45)c4nsnc34)c3nccnc23)n1 | tartarus_pce_pcbm |
c1coc(-c2sc(-c3ncc(-c4scc5nccnc45)c4nsnc34)c3cc[se]c23)c1 | tartarus_pce_pcbm |
c1ccc(-c2ccc(-c3ncc(-c4nccc5nsnc45)c4nsnc34)[nH]2)cc1 | tartarus_pce_pcbm |
c1cnc2cc3c(cnc4ccc5ccccc5c43)cc2c1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c(-c1scc3ccsc13)cc1cc3sc4ccc5c[nH]cc5c4c3cc12 | tartarus_pce_pcdtbt |
c1c[nH]c(-c2ccc3c(c2)c2cocc2c2c4c5c[nH]cc5ccc4c4cocc4c32)c1 | tartarus_pce_pcdtbt |
c1cc2c3cscc3c3c(ncc4ccc5c[nH]cc5c43)c2cn1 | tartarus_pce_pcdtbt |
c1cc2c(-c3ccc4c(ccc5c4ccc4ccc6c[nH]cc6c45)c3)scc2[se]1 | tartarus_pce_pcdtbt |
C1=c2c(c3c4ccccc4c4c[nH]cc4c3c3oc(-c4scc5cc[se]c45)cc23)=CC1 | tartarus_pce_pcdtbt |
C1=C(c2cccs2)Cc2c1[se]c1c2sc2ccc3cocc3c21 | tartarus_pce_pcdtbt |
c1ncc(-c2cc3c4cscc4c4c(ncc5ccc6c[nH]cc6c54)c3c3cocc23)s1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c1cc[nH]c1c1oc3cc(-c4scc5cc[se]c45)cnc3c21 | tartarus_pce_pcdtbt |
c1cc(-c2cc3c4ccccc4c4c(sc5ccc6nsnc6c54)c3[nH]2)c2cocc2c1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1sc3c(cnc4ccc5ccccc5c43)c12 | tartarus_pce_pcdtbt |
c1cc(-c2cc3ncc4c5[se]ccc5c5c[nH]cc5c4c3c3cscc23)c2c[nH]cc2c1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1ccc3c4ncc(-c5nccs5)cc4c4cocc4c3c12 | tartarus_pce_pcdtbt |
c1cc2c(-c3cc4c(cn3)c3cnc5ccc6c[nH]cc6c5c3c3cscc43)scc2o1 | tartarus_pce_pcdtbt |
C1=Cc2c(csc2C2=Cc3ccc4c(c3C2)c2c[nH]cc2c2ccc3c[nH]cc3c24)[SiH2]1 | tartarus_pce_pcdtbt |
c1cc2c3c[nH]cc3c3c(ccc4cc(-c5cncc6nsnc56)c5cscc5c43)c2[nH]1 | tartarus_pce_pcdtbt |
C1=C[SiH2]C(c2cnc3c(c2)c2c[nH]cc2c2c4c5c[nH]cc5ccc4c4nsnc4c32)=C1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)ccc1ccc3c4c(cc(-c5cncs5)c5nsnc54)c4cscc4c3c12 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3ccc4c(c3)c3c[nH]cc3c3c4cnc4ccc5cocc5c43)c2C1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4[se]c5c6ccccc6oc5c4[nH]3)c2C1 | tartarus_pce_pcdtbt |
c1cc2c(-c3cc4cnc5c6[se]ccc6c6c[nH]cc6c5c4c4cscc34)scc2[nH]1 | tartarus_pce_pcdtbt |
C1=Cc2csc(-c3cc4cc5cnc6ccc7ccccc7c6c5cc4cn3)c2[SiH2]1 | tartarus_pce_pcdtbt |
C1=C(c2scc3ccoc23)Cc2c1ncc1c2c2c[nH]cc2c2ccc3nsnc3c21 | tartarus_pce_pcdtbt |
c1ccc2c(c1)c1ccc3c[nH]cc3c1c1c3cscc3c3cc(-c4nccs4)cnc3c21 | tartarus_pce_pcdtbt |
C1=c2c(-c3cccc4nsnc34)cc3[se]c4c5[nH]ccc5c5ccccc5c4c3c2=CC1 | tartarus_pce_pcdtbt |
C1=CCC(c2cc3cnc4c(c5c(c6ccc7cscc7c64)=CCC=5)c3[nH]2)=C1 | tartarus_pce_pcdtbt |
C1=Cc2c(c3oc4cc(-c5scc6cc[nH]c56)oc4c3c3ccccc23)[SiH2]1 | tartarus_pce_pcdtbt |
C1=Cc2c(-c3ccc(-c4scc5occc45)[se]3)sc(-c3ncncn3)c2[SiH2]1 | tartarus_pce_pcdtbt |
c1cc2c(-c3cc4cc5c6c[nH]cc6c6ccc7cocc7c6c5cc4[se]3)scc2[se]1 | tartarus_pce_pcdtbt |
C1=Cc2c(csc2-c2cc3cnc4c(oc5ccc6c[nH]cc6c54)c3c3ccccc23)C1 | tartarus_pce_pcdtbt |
C1=Cc2c(c3c4cocc4c4cc(-c5cccc6c[nH]cc56)[se]c4c3c3cscc23)C1 | tartarus_pce_pcdtbt |
c1ccc2c(c1)sc1c2[nH]c2cc(-c3nccc4nsnc34)[se]c21 | tartarus_pce_pcdtbt |
C1=c2ccc3cnc4c5cnc(-c6cccc7cscc67)cc5cnc4c3c2=C[SiH2]1 | tartarus_pce_pcdtbt |
c1cncc(-c2cc3[nH]c4c([se]c5ccc6c[nH]cc6c54)c3[se]2)c1 | tartarus_pce_pcdtbt |
c1cc(-c2sc(-c3sc(-c4scc5sccc45)c4cc[nH]c34)c3ccsc23)c2nsnc2c1 | tartarus_pce_pcdtbt |
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