molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
O=C(CCO)C(F)(F)F | [O][=C][Branch1][Ring2][C][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CCCC(=O)C(F)(F)F | [C][C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CCOC(=N)C(F)(F)F | [C][C][O][C][=Branch1][C][=N][C][Branch1][C][F][Branch1][C][F][F] |
CNCC(=O)C(F)(F)F | [C][N][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
COCC(=O)C(F)(F)F | [C][O][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
NC(CCO)C(F)(F)F | [N][C][Branch1][Ring2][C][C][O][C][Branch1][C][F][Branch1][C][F][F] |
OCCC(O)C(F)(F)F | [O][C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CC(CCO)C(F)(F)F | [C][C][Branch1][Ring2][C][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CCCC(C)C(F)(F)F | [C][C][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCCC(N)C(F)(F)F | [C][C][C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
CCCC(O)C(F)(F)F | [C][C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CCNC(C)C(F)(F)F | [C][C][N][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCOC(C)C(F)(F)F | [C][C][O][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
COCC(C)C(F)(F)F | [C][O][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
COCC(N)C(F)(F)F | [C][O][C][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F] |
COCC(O)C(F)(F)F | [C][O][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
OCCCCC(F)(F)F | [O][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
OCCNCC(F)(F)F | [O][C][C][N][C][C][Branch1][C][F][Branch1][C][F][F] |
OCCOCC(F)(F)F | [O][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CCCCCC(F)(F)F | [C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CCCNCC(F)(F)F | [C][C][C][N][C][C][Branch1][C][F][Branch1][C][F][F] |
CCCOCC(F)(F)F | [C][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F] |
CCOCCC(F)(F)F | [C][C][O][C][C][C][Branch1][C][F][Branch1][C][F][F] |
COCCCC(F)(F)F | [C][O][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
C1=C2C3C4CC3(C1)C24 | [C][=C][C][C][C][C][Ring1][Ring2][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch1][Ring1][Branch1] |
C1=C2C3C4OC3(C1)C24 | [C][=C][C][C][O][C][Ring1][Ring2][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch1][Ring1][Branch1] |
C1=C2C3N4CC3(C1)C24 | [C][=C][C][N][C][C][Ring1][Ring2][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch1][Ring1][Branch1] |
C1=C2CC3C1C1OC3C21 | [C][=C][C][C][C][Ring1][Branch1][C][O][C][Ring1][Branch1][C][Ring1][Branch2][Ring1][Ring2] |
N1=C2NC3C1C1OC3C21 | [N][=C][N][C][C][Ring1][Branch1][C][O][C][Ring1][Branch1][C][Ring1][Branch2][Ring1][Ring2] |
C1N2C3C4C2C12CN4C32 | [C][N][C][C][C][Ring1][Ring2][C][Ring1][=Branch1][C][N][Ring1][Branch1][C][Ring1][#Branch1][Ring1][Ring2] |
C1N2C3C4C5OC1(C53)C42 | [C][N][C][C][C][O][C][Ring1][#Branch1][Branch1][=Branch1][C][Ring1][Ring2][Ring1][=Branch1][C][Ring1][=Branch1][Ring1][Branch2] |
C1=C2CCC34OC(C13)C24 | [C][=C][C][C][C][O][C][Branch1][=Branch1][C][Ring1][Branch2][Ring1][Ring2][C][Ring1][Branch2][Ring1][Branch1] |
C1=CC2C3NC24C1OC34 | [C][=C][C][C][N][C][Ring1][Ring2][C][Ring1][#Branch1][O][C][Ring1][=Branch1][Ring1][Ring2] |
C1CC2C3CC24C1OC34 | [C][C][C][C][C][C][Ring1][Ring2][C][Ring1][#Branch1][O][C][Ring1][=Branch1][Ring1][Ring2] |
CC12C3=CC4C(=C3)C1C42 | [C][C][C][=C][C][C][=Branch1][Ring2][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4C(=C3)C1N42 | [C][C][C][=C][C][C][=Branch1][Ring2][=C][Ring1][Branch1][C][Ring1][#Branch1][N][Ring1][Branch1][Ring1][Branch2] |
OC12C3=CC4C(=C3)C1C42 | [O][C][C][=C][C][C][=Branch1][Ring2][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3C=C4C=C3C1C42 | [C][C][C][C][=C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3N=C4C=C3C1N42 | [C][C][C][N][=C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][N][Ring1][Branch1][Ring1][Branch2] |
OC12C3C=C4C=C3C1C42 | [O][C][C][C][=C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3C=C4C(C3)C1C42 | [C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3C=C4C(O3)C1C42 | [C][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3CC4C(=N3)N1C42 | [C][C][C][C][C][C][=Branch1][Ring2][=N][Ring1][Branch1][N][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3C=C4C(C3)N1C42 | [C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
NC12C3CN4C(=N3)C1C42 | [N][C][C][C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3C=C4C(C3)C1C42 | [O][C][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3C=C4C(O3)C1C42 | [O][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3CN4C(=N3)C1C42 | [O][C][C][C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4=CC3C1C42 | [C][C][C][=C][C][=C][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4=NC3C1N42 | [C][C][C][=C][C][=N][C][Ring1][Branch1][C][Ring1][#Branch1][N][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4=CC3N1C42 | [C][C][C][=C][C][=C][C][Ring1][Branch1][N][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3=CC4=CC3C1C42 | [O][C][C][=C][C][=C][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3CC4C=C3C1C42 | [C][C][C][C][C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3OC4C=C3C1C42 | [C][C][C][O][C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3CC4N=C3N1C42 | [C][C][C][C][C][N][=C][Ring1][Branch1][N][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3CC4C=C3C1N42 | [C][C][C][C][C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][N][Ring1][Branch1][Ring1][Branch2] |
OC12C3CC4C=C3C1C42 | [O][C][C][C][C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3OC4C=C3C1C42 | [O][C][C][O][C][C][=C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4CC3C1C42 | [C][C][C][=C][C][C][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4OC3C1C42 | [C][C][C][=C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3=NC4CN3C1C42 | [C][C][C][=N][C][C][N][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4CC3C1N42 | [C][C][C][=C][C][C][C][Ring1][Branch1][C][Ring1][#Branch1][N][Ring1][Branch1][Ring1][Branch2] |
CC12C3=CC4CC3N1C42 | [C][C][C][=C][C][C][C][Ring1][Branch1][N][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3=CC4CC3C1C42 | [O][C][C][=C][C][C][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3=CC4OC3C1C42 | [O][C][C][=C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
OC12C3=NC4CN3C1C42 | [O][C][C][=N][C][C][N][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][Branch2] |
CC12CC34CC=C(C13)C24 | [C][C][C][C][C][C][=C][Branch1][=Branch1][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][Branch2][Ring1][=Branch1] |
CC12OC34CC=C(C13)C24 | [C][C][O][C][C][C][=C][Branch1][=Branch1][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][Branch2][Ring1][=Branch1] |
OC12CC34CC=C(C13)C24 | [O][C][C][C][C][C][=C][Branch1][=Branch1][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][Branch2][Ring1][=Branch1] |
CC1C2C3C4=CCC13C42 | [C][C][C][C][C][=C][C][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][Branch1][Ring1][#Branch1] |
CC1N2C3C4=CCC13C42 | [C][C][N][C][C][=C][C][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][Branch1][Ring1][#Branch1] |
CN1C2C3C4=CCC31C42 | [C][N][C][C][C][=C][C][C][Ring1][Branch1][Ring1][#Branch1][C][Ring1][Branch1][Ring1][#Branch1] |
OC1C2C3C4=CCC13C42 | [O][C][C][C][C][=C][C][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][Branch1][Ring1][#Branch1] |
CN1C2CC13COCC23 | [C][N][C][C][C][Ring1][Ring2][C][O][C][C][Ring1][#Branch1][Ring1][Branch1] |
CN1C2CC13CC(O)C23 | [C][N][C][C][C][Ring1][Ring2][C][C][Branch1][C][O][C][Ring1][#Branch1][Ring1][Branch1] |
C1C2CC3CC4CC1C234 | [C][C][C][C][C][C][C][C][Ring1][Branch2][C][Ring1][Branch2][Ring1][=Branch1][Ring1][Ring2] |
C1C2CC3OC4CC1C234 | [C][C][C][C][O][C][C][C][Ring1][Branch2][C][Ring1][Branch2][Ring1][=Branch1][Ring1][Ring2] |
C1C2CN3CC4OC1C243 | [C][C][C][N][C][C][O][C][Ring1][Branch2][C][Ring1][Branch2][Ring1][Ring2][Ring1][=Branch1] |
C1C2OC3CC4OC1C234 | [C][C][O][C][C][C][O][C][Ring1][Branch2][C][Ring1][Branch2][Ring1][=Branch1][Ring1][Ring2] |
C1C2CC34CC(C13)C4O2 | [C][C][C][C][C][C][Branch1][=Branch1][C][Ring1][#Branch1][Ring1][Ring2][C][Ring1][Branch1][O][Ring1][Branch2] |
C1C2CC3C4CC3(C2)C14 | [C][C][C][C][C][C][C][Ring1][Ring2][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch2][Ring1][Branch1] |
C1C2CC3C4CC3(O2)C14 | [C][C][C][C][C][C][C][Ring1][Ring2][Branch1][Ring2][O][Ring1][#Branch1][C][Ring1][=Branch2][Ring1][Branch1] |
C1C2OC3C4CC3(O2)C14 | [C][C][O][C][C][C][C][Ring1][Ring2][Branch1][Ring2][O][Ring1][#Branch1][C][Ring1][=Branch2][Ring1][Branch1] |
C1C2OC3C4CC13C4O2 | [C][C][O][C][C][C][C][Ring1][#Branch1][Ring1][Ring2][C][Ring1][Ring2][O][Ring1][Branch2] |
C1C2CC34CC(C3O2)N14 | [C][C][C][C][C][C][Branch1][#Branch1][C][Ring1][Ring2][O][Ring1][#Branch1][N][Ring1][=Branch2][Ring1][=Branch1] |
C1C2CC3N4CC3(C2)C14 | [C][C][C][C][N][C][C][Ring1][Ring2][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch2][Ring1][Branch1] |
C1C2CC3N4CC3(O2)C14 | [C][C][C][C][N][C][C][Ring1][Ring2][Branch1][Ring2][O][Ring1][#Branch1][C][Ring1][=Branch2][Ring1][Branch1] |
C1C2C3C2C2C4OC12C43 | [C][C][C][C][Ring1][Ring1][C][C][O][C][Ring1][Branch2][Ring1][Ring2][C][Ring1][Ring2][Ring1][#Branch1] |
C1C2C3C4C5C2C13CN45 | [C][C][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch1][Ring1][Branch1][C][N][Ring1][=Branch1][Ring1][Branch1] |
C1C2C3C2C2C4CC12C43 | [C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Branch2][Ring1][Ring2][C][Ring1][Ring2][Ring1][#Branch1] |
C1C2C3C4C5CC13C2N54 | [C][C][C][C][C][C][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][#Branch1][N][Ring1][Branch1][Ring1][=Branch1] |
C1C2C3C2N2C4CC12C34 | [C][C][C][C][Ring1][Ring1][N][C][C][C][Ring1][Branch2][Ring1][Ring2][C][Ring1][#Branch1][Ring1][Ring2] |
C1C2C3C4C5OC13C2C54 | [C][C][C][C][C][O][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][=Branch1] |
C1C2C3C4C5OC14C5N23 | [C][C][C][C][C][O][C][Ring1][#Branch1][Ring1][Ring2][C][Ring1][Ring2][N][Ring1][Branch2][Ring1][#Branch1] |
C1N2C3C2C2C4OC12C43 | [C][N][C][C][Ring1][Ring1][C][C][O][C][Ring1][Branch2][Ring1][Ring2][C][Ring1][Ring2][Ring1][#Branch1] |
C1N2C3C2C2N4CC12C34 | [C][N][C][C][Ring1][Ring1][C][N][C][C][Ring1][Branch2][Ring1][Ring2][C][Ring1][#Branch1][Ring1][Ring2] |
C1C2C3C2C2N4CC12C34 | [C][C][C][C][Ring1][Ring1][C][N][C][C][Ring1][Branch2][Ring1][Ring2][C][Ring1][#Branch1][Ring1][Ring2] |
C1N2C3C4C5OC13C2C54 | [C][N][C][C][C][O][C][Ring1][#Branch1][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][Branch1][Ring1][=Branch1] |