molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
---|---|
CC#CC(=O)C(F)(F)F | [C][C][#C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CC#CC(C)C(F)(F)F | [C][C][#C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC#CC(N)C(F)(F)F | [C][C][#C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
CC#CC(O)C(F)(F)F | [C][C][#C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC#CCCC(F)(F)F | [C][C][#C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)C#CC(F)(F)F | [C][C][=Branch1][C][=O][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
NC(=O)C#CC(F)(F)F | [N][C][=Branch1][C][=O][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)C(=O)C(F)(F)F | [C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
N=C(N)C(=O)C(F)(F)F | [N][=C][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CC(=N)OCC(F)(F)F | [C][C][=Branch1][C][=N][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)CCC(F)(F)F | [C][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)NCC(F)(F)F | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)OCC(F)(F)F | [C][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F] |
NC(=O)CCC(F)(F)F | [N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F] |
NC(=O)NCC(F)(F)F | [N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F] |
NC(=O)OCC(F)(F)F | [N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)C(O)C(F)(F)F | [C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)C(C)C(F)(F)F | [C][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C(N)=O)C(F)(F)F | [C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][F][Branch1][C][F][F] |
NC(=O)C(N)C(F)(F)F | [N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
NC(=O)C(O)C(F)(F)F | [N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
FC(F)(F)C#CC1CC1 | [F][C][Branch1][C][F][Branch1][C][F][C][#C][C][C][C][Ring1][Ring1] |
FC(F)(F)C#CC1CN1 | [F][C][Branch1][C][F][Branch1][C][F][C][#C][C][C][N][Ring1][Ring1] |
FC(F)(F)C#CC1CO1 | [F][C][Branch1][C][F][Branch1][C][F][C][#C][C][C][O][Ring1][Ring1] |
C#CCC#CC(F)(F)F | [C][#C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
N#CCC#CC(F)(F)F | [N][#C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
O=CCC#CC(F)(F)F | [O][=C][C][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
N=C(N1CC1)C(F)(F)F | [N][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=C(C1CC1)C(F)(F)F | [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=C(C1CN1)C(F)(F)F | [O][=C][Branch1][=Branch1][C][C][N][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=C(C1CO1)C(F)(F)F | [O][=C][Branch1][=Branch1][C][C][O][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=C(N1CC1)C(F)(F)F | [O][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
C#CCC(=O)C(F)(F)F | [C][#C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
N=C(N=CN)C(F)(F)F | [N][=C][Branch1][Ring2][N][=C][N][C][Branch1][C][F][Branch1][C][F][F] |
N=C(NC=O)C(F)(F)F | [N][=C][Branch1][Ring2][N][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
N=CNC(=O)C(F)(F)F | [N][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
O=CNC(=O)C(F)(F)F | [O][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
N=COC(=O)C(F)(F)F | [N][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(C#C)C(F)(F)F | [C][#C][C][Branch1][Ring1][C][#C][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(C#N)C(F)(F)F | [C][#C][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(C)(C)C(F)(F)F | [C][#C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)(C#N)C(F)(F)F | [C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(C)(N)C(F)(F)F | [C][#C][C][Branch1][C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
CC(N)(C#N)C(F)(F)F | [C][C][Branch1][C][N][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(C)(O)C(F)(F)F | [C][#C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC(O)(C#N)C(F)(F)F | [C][C][Branch1][C][O][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)(C=O)C(F)(F)F | [C][C][Branch1][C][C][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CC(O)(C=O)C(F)(F)F | [C][C][Branch1][C][O][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(C=O)C(F)(F)F | [C][#C][C][Branch1][Ring1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CC1(C(F)(F)F)CCC1 | [C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2] |
CC1(C(F)(F)F)CCN1 | [C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][N][Ring1][Branch2] |
CC1(C(F)(F)F)CCO1 | [C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][O][Ring1][Branch2] |
CC1(C(F)(F)F)COC1 | [C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2] |
NC1(C(F)(F)F)CCC1 | [N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2] |
NC1(C(F)(F)F)COC1 | [N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2] |
OC1(C(F)(F)F)CCC1 | [O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2] |
OC1(C(F)(F)F)CNC1 | [O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][C][Ring1][Branch2] |
OC1(C(F)(F)F)COC1 | [O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][C][Ring1][Branch2] |
C#CC1(C(F)(F)F)CC1 | [C][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1] |
N#CC1(C(F)(F)F)CC1 | [N][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1] |
C#CC1(C(F)(F)F)CN1 | [C][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1] |
N#CC1(C(F)(F)F)CN1 | [N][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1] |
C#CC1(C(F)(F)F)CO1 | [C][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1] |
N#CC1(C(F)(F)F)CO1 | [N][#C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1] |
O=CC1(C(F)(F)F)CC1 | [O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1] |
O=CC1(C(F)(F)F)CN1 | [O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][#Branch1] |
O=CC1(C(F)(F)F)CO1 | [O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#Branch1] |
FC(F)(F)C12CC(C1)C2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1] |
FC(F)(F)C12CC(C1)N2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Ring1][Branch1] |
FC(F)(F)C12CC(C1)O2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][Branch1][Ring2][C][Ring1][Ring2][O][Ring1][Branch1] |
FC(F)(F)C12CN(C1)C2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][N][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1] |
FC(F)(F)C12CCC1C2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][C][Ring1][Branch1] |
FC(F)(F)C12CC1CN2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][N][Ring1][Branch1] |
FC(F)(F)C12CC1CO2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][O][Ring1][Branch1] |
FC(F)(F)C12COC1C2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][O][C][Ring1][Ring2][C][Ring1][Branch1] |
FC(F)(F)C12CCC1N2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][N][Ring1][Branch1] |
FC(F)(F)C12CCC1O2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][O][Ring1][Branch1] |
FC(F)(F)C12CCN1C2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][N][Ring1][Ring2][C][Ring1][Branch1] |
FC(F)(F)C1=CCCC1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][C][C][Ring1][Branch1] |
FC(F)(F)C1=CCOC1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][O][C][Ring1][Branch1] |
FC(F)(F)C1=NCCN1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][C][N][Ring1][Branch1] |
FC(F)(F)C1=NCCO1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][C][O][Ring1][Branch1] |
FC(F)(F)C1C2CC1C2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][C][Ring1][Ring2] |
FC(F)(F)C1C2CC1O2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Ring1][Ring2][O][Ring1][Ring2] |
FC(F)(F)C1C2CN1C2 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][N][Ring1][Ring2][C][Ring1][Ring2] |
FC(F)(F)C1C2CCC21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][Ring1][Ring2][Ring1][Branch1] |
FC(F)(F)C1C2CCN21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][N][Ring1][Ring2][Ring1][Branch1] |
FC(F)(F)C1C2COC21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][O][C][Ring1][Ring2][Ring1][Branch1] |
N=C1CC(C(F)(F)F)O1 | [N][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][Branch2] |
O=C1CC(C(F)(F)F)C1 | [O][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][Branch2] |
O=C1CC(C(F)(F)F)O1 | [O][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][Branch2] |
CC1(C)CC1C(F)(F)F | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1(O)CC1C(F)(F)F | [C][C][Branch1][C][O][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1(C)NC1C(F)(F)F | [C][C][Branch1][C][C][N][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CC1(C)OC1C(F)(F)F | [C][C][Branch1][C][C][O][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
C#CC1CC1C(F)(F)F | [C][#C][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
N#CC1CC1C(F)(F)F | [N][#C][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
C#CC1NC1C(F)(F)F | [C][#C][C][N][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
N#CC1NC1C(F)(F)F | [N][#C][C][N][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
C#CC1OC1C(F)(F)F | [C][#C][C][O][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |