molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
N#CC1OC1C(F)(F)F | [N][#C][C][O][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=CC1CC1C(F)(F)F | [O][=C][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=CN1CC1C(F)(F)F | [O][=C][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=CC1NC1C(F)(F)F | [O][=C][C][N][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
O=CC1OC1C(F)(F)F | [O][=C][C][O][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
FC(F)(F)C1CC2CC21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][Ring1][Ring1][Ring1][Branch1] |
FC(F)(F)C1CC2CN21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][N][Ring1][Ring1][Ring1][Branch1] |
FC(F)(F)C1CC2NC21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][N][C][Ring1][Ring1][Ring1][Branch1] |
FC(F)(F)C1CC2OC21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][O][C][Ring1][Ring1][Ring1][Branch1] |
FC(F)(F)C1NC2CC21 | [F][C][Branch1][C][F][Branch1][C][F][C][N][C][C][C][Ring1][Ring1][Ring1][Branch1] |
FC(F)(F)C1OC2CC21 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][C][C][Ring1][Ring1][Ring1][Branch1] |
FC(F)(F)C1CC=CC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][=C][C][Ring1][Branch1] |
FC(F)(F)C1CN=CN1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][N][=C][N][Ring1][Branch1] |
FC(F)(F)C1CN=CO1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][N][=C][O][Ring1][Branch1] |
O=C1CCC1C(F)(F)F | [O][=C][C][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
O=C1NCC1C(F)(F)F | [O][=C][N][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
N=C1OCC1C(F)(F)F | [N][=C][O][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
O=C1OCC1C(F)(F)F | [O][=C][O][C][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
O=C1CNC1C(F)(F)F | [O][=C][C][N][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
O=C1COC1C(F)(F)F | [O][=C][C][O][C][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
FC(F)(F)C1C=CCC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][C][C][Ring1][Branch1] |
FC(F)(F)C1COC=N1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][O][C][=N][Ring1][Branch1] |
FC(F)(F)C1C=CCN1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][C][N][Ring1][Branch1] |
FC(F)(F)C1C=CCO1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][C][O][Ring1][Branch1] |
FC(F)(F)C1CCCC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][Ring1][Branch1] |
FC(F)(F)C1CCCN1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][N][Ring1][Branch1] |
FC(F)(F)C1CCCO1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][O][Ring1][Branch1] |
FC(F)(F)C1CCOC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][O][C][Ring1][Branch1] |
FC(F)(F)C1COCO1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][O][C][O][Ring1][Branch1] |
FC(F)(F)C1OCCO1 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][C][O][Ring1][Branch1] |
C#CC#CCC(F)(F)F | [C][#C][C][#C][C][C][Branch1][C][F][Branch1][C][F][F] |
N#CC#CCC(F)(F)F | [N][#C][C][#C][C][C][Branch1][C][F][Branch1][C][F][F] |
O=CC#CCC(F)(F)F | [O][=C][C][#C][C][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(=O)CC(F)(F)F | [C][#C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
N#CC(=O)CC(F)(F)F | [N][#C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
O=CC(=O)CC(F)(F)F | [O][=C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)(C)CC(F)(F)F | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
FC(F)(F)CC(F)(F)F | [F][C][Branch1][C][F][Branch1][C][F][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)(O)CC(F)(F)F | [C][C][Branch1][C][C][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC1(CC(F)(F)F)CC1 | [C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][Branch2] |
CC1(CC(F)(F)F)CN1 | [C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][N][Ring1][Branch2] |
CC1(CC(F)(F)F)CO1 | [C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][Branch2] |
OC1(CC(F)(F)F)CC1 | [O][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][Branch2] |
FC(F)(F)CC1CCC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][Ring1][Ring2] |
FC(F)(F)CC1CCO1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][O][Ring1][Ring2] |
FC(F)(F)CC1COC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][O][C][Ring1][Ring2] |
FC(F)(F)CN1CCC1 | [F][C][Branch1][C][F][Branch1][C][F][C][N][C][C][C][Ring1][Ring2] |
FC(F)(F)CCC1CC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][Ring1][Ring1] |
FC(F)(F)CCC1CO1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][O][Ring1][Ring1] |
FC(F)(F)CCN1CC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][N][C][C][Ring1][Ring1] |
FC(F)(F)CNC1CC1 | [F][C][Branch1][C][F][Branch1][C][F][C][N][C][C][C][Ring1][Ring1] |
FC(F)(F)COC1CC1 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][C][C][Ring1][Ring1] |
C#CCCCC(F)(F)F | [C][#C][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
N#CCCCC(F)(F)F | [N][#C][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
C#CCNCC(F)(F)F | [C][#C][C][N][C][C][Branch1][C][F][Branch1][C][F][F] |
N#CCNCC(F)(F)F | [N][#C][C][N][C][C][Branch1][C][F][Branch1][C][F][F] |
C#CCOCC(F)(F)F | [C][#C][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
N#CCOCC(F)(F)F | [N][#C][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
O=CCCCC(F)(F)F | [O][=C][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
O=CNCCC(F)(F)F | [O][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][F] |
N=COCCC(F)(F)F | [N][=C][O][C][C][C][Branch1][C][F][Branch1][C][F][F] |
O=COCCC(F)(F)F | [O][=C][O][C][C][C][Branch1][C][F][Branch1][C][F][F] |
O=CCNCC(F)(F)F | [O][=C][C][N][C][C][Branch1][C][F][Branch1][C][F][F] |
O=CCOCC(F)(F)F | [O][=C][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)C#CC(F)(F)F | [C][C][Branch1][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] |
CC(C)C(=O)C(F)(F)F | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CN(C)C(=N)C(F)(F)F | [C][N][Branch1][C][C][C][=Branch1][C][=N][C][Branch1][C][F][Branch1][C][F][F] |
CN(C)C(=O)C(F)(F)F | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)C(C)C(F)(F)F | [C][C][Branch1][C][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][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)C(O)C(F)(F)F | [C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC(N(C)C)C(F)(F)F | [C][C][Branch1][=Branch1][N][Branch1][C][C][C][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(O)C(N)C(F)(F)F | [C][C][Branch1][C][O][C][Branch1][C][N][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(C)CCC(F)(F)F | [C][C][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)NCC(F)(F)F | [C][C][Branch1][C][C][N][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)OCC(F)(F)F | [C][C][Branch1][C][C][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] |
NC(C1CC1)C(F)(F)F | [N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
NC(C1CN1)C(F)(F)F | [N][C][Branch1][=Branch1][C][C][N][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
NC(C1CO1)C(F)(F)F | [N][C][Branch1][=Branch1][C][C][O][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
OC(C1CC1)C(F)(F)F | [O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
OC(C1CN1)C(F)(F)F | [O][C][Branch1][=Branch1][C][C][N][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
OC(C1CO1)C(F)(F)F | [O][C][Branch1][=Branch1][C][C][O][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CC(C1CC1)C(F)(F)F | [C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CC(C1CN1)C(F)(F)F | [C][C][Branch1][=Branch1][C][C][N][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CC(C1CO1)C(F)(F)F | [C][C][Branch1][=Branch1][C][C][O][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CC(N1CC1)C(F)(F)F | [C][C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
C#CCC(N)C(F)(F)F | [C][#C][C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
N#CCC(N)C(F)(F)F | [N][#C][C][C][Branch1][C][N][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#CCC(O)C(F)(F)F | [N][#C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
C#CCC(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][Branch1][Ring2][C][C][#N][C][Branch1][C][F][Branch1][C][F][F] |
N#CC(N)CC(F)(F)F | [N][#C][C][Branch1][C][N][C][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(O)CC(F)(F)F | [C][#C][C][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
N#CC(O)CC(F)(F)F | [N][#C][C][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
C#CC(C)CC(F)(F)F | [C][#C][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |