molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
Cc1cncc(F)c1C | [C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C] |
Cc1ccnc(F)c1C | [C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][C] |
Cc1ncnc(F)c1C | [C][C][=N][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][C] |
Cc1cccc(F)c1N | [C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Cc1nccc(F)c1N | [C][C][=N][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Cc1cncc(F)c1N | [C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Cc1ccnc(F)c1N | [C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Cc1ncnc(F)c1N | [C][C][=N][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Cc1c(N)cccc1F | [C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][F] |
Cc1c(N)ccnc1F | [C][C][=C][Branch1][C][N][C][=C][N][=C][Ring1][#Branch1][F] |
Cc1c(N)cncc1F | [C][C][=C][Branch1][C][N][C][=N][C][=C][Ring1][#Branch1][F] |
Cc1cccc(N)c1F | [C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][F] |
Cc1cncc(N)c1F | [C][C][=C][N][=C][C][Branch1][C][N][=C][Ring1][#Branch1][F] |
Cc1cccc(F)c1O | [C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
Cc1cccc(O)c1F | [C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
Cc1cccc(F)c1F | [C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Cc1nccc(F)c1O | [C][C][=N][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
Cc1nccc(F)c1F | [C][C][=N][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Cc1c[nH]cc(F)c1=O | [C][C][=C][NH1][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
Cc1cncc(O)c1F | [C][C][=C][N][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
Cc1cncc(F)c1F | [C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Cc1ccnc(F)c1O | [C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
Cc1ccnc(F)c1F | [C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Cc1ncnc(F)c1O | [C][C][=N][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
Cc1ncnc(F)c1F | [C][C][=N][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Cc1c(O)cccc1F | [C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][F] |
Cc1c(F)cccc1F | [C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
Cc1c(F)ccnc1N | [C][C][=C][Branch1][C][F][C][=C][N][=C][Ring1][#Branch1][N] |
Cc1c(F)ccnc1F | [C][C][=C][Branch1][C][F][C][=C][N][=C][Ring1][#Branch1][F] |
Cc1c(O)cncc1F | [C][C][=C][Branch1][C][O][C][=N][C][=C][Ring1][#Branch1][F] |
Cc1c(F)cncc1F | [C][C][=C][Branch1][C][F][C][=N][C][=C][Ring1][#Branch1][F] |
Cc1c(F)ncnc1F | [C][C][=C][Branch1][C][F][N][=C][N][=C][Ring1][#Branch1][F] |
Cc1cccc(C)c1F | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][F] |
Cc1cncc(C)c1F | [C][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][F] |
Cc1ccnc(C)c1F | [C][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][F] |
Cc1ncnc(C)c1F | [C][C][=N][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][F] |
Nc1cccc(F)c1N | [N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Nc1cncc(F)c1N | [N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Nc1cccc(F)c1O | [N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
Nc1cccc(O)c1F | [N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
Nc1cccc(F)c1F | [N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Nc1c[nH]cc(F)c1=O | [N][C][=C][NH1][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
Nc1cncc(O)c1F | [N][C][=C][N][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
Nc1cncc(F)c1F | [N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Nc1ncnc(F)c1O | [N][C][=N][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
Nc1c(O)cccc1F | [N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][F] |
Nc1c(F)cccc1F | [N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
Nc1c(F)ccnc1F | [N][C][=C][Branch1][C][F][C][=C][N][=C][Ring1][#Branch1][F] |
Nc1c(O)cncc1F | [N][C][=C][Branch1][C][O][C][=N][C][=C][Ring1][#Branch1][F] |
Nc1c(F)cncc1F | [N][C][=C][Branch1][C][F][C][=N][C][=C][Ring1][#Branch1][F] |
Nc1c(F)ncnc1F | [N][C][=C][Branch1][C][F][N][=C][N][=C][Ring1][#Branch1][F] |
Nc1cccc(N)c1F | [N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][F] |
Nc1cncc(N)c1F | [N][C][=C][N][=C][C][Branch1][C][N][=C][Ring1][#Branch1][F] |
Nc1nccc(F)c1N | [N][C][=N][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Oc1cccc(O)c1F | [O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
Oc1cccc(F)c1O | [O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
Oc1cccc(F)c1F | [O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Oc1c(F)cccc1F | [O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
Fc1cccc(F)c1F | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Oc1cncc(O)c1F | [O][C][=C][N][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
O=c1c(O)c[nH]cc1F | [O][=C][C][Branch1][C][O][=C][NH1][C][=C][Ring1][#Branch1][F] |
O=c1c(F)c[nH]cc1F | [O][=C][C][Branch1][C][F][=C][NH1][C][=C][Ring1][#Branch1][F] |
Fc1cncc(F)c1F | [F][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
O=c1[nH]ccc(F)c1O | [O][=C][NH1][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O] |
O=c1cc[nH]c(F)c1F | [O][=C][C][=C][NH1][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
Fc1ccnc(F)c1F | [F][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
O=c1[nH]cnc(O)c1F | [O][=C][NH1][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
Fc1ncnc(F)c1F | [F][C][=N][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
C#Cc1ccccc1F | [C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
N#Cc1ccccc1F | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
C#Cc1ncccc1F | [C][#C][C][=N][C][=C][C][=C][Ring1][=Branch1][F] |
N#Cc1ncccc1F | [N][#C][C][=N][C][=C][C][=C][Ring1][=Branch1][F] |
C#Cc1cnccc1F | [C][#C][C][=C][N][=C][C][=C][Ring1][=Branch1][F] |
N#Cc1cnccc1F | [N][#C][C][=C][N][=C][C][=C][Ring1][=Branch1][F] |
C#Cc1ccncc1F | [C][#C][C][=C][C][=N][C][=C][Ring1][=Branch1][F] |
N#Cc1ccncc1F | [N][#C][C][=C][C][=N][C][=C][Ring1][=Branch1][F] |
C#Cc1ncncc1F | [C][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][F] |
N#Cc1ncncc1F | [N][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][F] |
C#Cc1cccnc1F | [C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][F] |
N#Cc1cccnc1F | [N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][F] |
C#Cc1nccnc1F | [C][#C][C][=N][C][=C][N][=C][Ring1][=Branch1][F] |
N#Cc1nccnc1F | [N][#C][C][=N][C][=C][N][=C][Ring1][=Branch1][F] |
C#Cc1cncnc1F | [C][#C][C][=C][N][=C][N][=C][Ring1][=Branch1][F] |
N#Cc1cncnc1F | [N][#C][C][=C][N][=C][N][=C][Ring1][=Branch1][F] |
O=Cc1ccccc1F | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
O=Cc1ncccc1F | [O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][F] |
O=Cc1cnccc1F | [O][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][F] |
O=Cc1ccncc1F | [O][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][F] |
O=Cc1ncncc1F | [O][=C][C][=N][C][=N][C][=C][Ring1][=Branch1][F] |
O=Cc1cccnc1F | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][F] |
O=Cc1nccnc1F | [O][=C][C][=N][C][=C][N][=C][Ring1][=Branch1][F] |
O=Cc1cncnc1F | [O][=C][C][=C][N][=C][N][=C][Ring1][=Branch1][F] |
N=c1occ(F)oc1=N | [N][=C][O][C][=C][Branch1][C][F][O][C][Ring1][#Branch1][=N] |
N=c1occ(F)oc1=O | [N][=C][O][C][=C][Branch1][C][F][O][C][Ring1][#Branch1][=O] |
N=c1oc(F)coc1=O | [N][=C][O][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=O] |
O=c1occ(F)oc1=O | [O][=C][O][C][=C][Branch1][C][F][O][C][Ring1][#Branch1][=O] |
Cc1cc(F)coc1=N | [C][C][=C][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=N] |
Cc1cc(F)coc1=O | [C][C][=C][C][Branch1][C][F][=C][O][C][Ring1][#Branch1][=O] |
Cc1coc(=N)c(F)c1 | [C][C][=C][O][C][=Branch1][C][=N][C][Branch1][C][F][=C][Ring1][Branch2] |
Cc1coc(=N)c(F)n1 | [C][C][=C][O][C][=Branch1][C][=N][C][Branch1][C][F][=N][Ring1][Branch2] |