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]
|
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