molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
Cc1nncc(N)c1F | [C][C][=N][N][=C][C][Branch1][C][N][=C][Ring1][#Branch1][F] |
Cc1oncc(=N)c1F | [C][C][O][N][=C][C][=Branch1][C][=N][C][=Ring1][#Branch1][F] |
Cc1nnnc(N)c1F | [C][C][=N][N][=N][C][Branch1][C][N][=C][Ring1][#Branch1][F] |
Cc1onnc(=N)c1F | [C][C][O][N][=N][C][=Branch1][C][=N][C][=Ring1][#Branch1][F] |
Cc1cnnc(N)c1F | [C][C][=C][N][=N][C][Branch1][C][N][=C][Ring1][#Branch1][F] |
Cc1cnoc(=N)c1F | [C][C][C][=N][O][C][=Branch1][C][=N][C][=Ring1][#Branch1][F] |
Cc1nnoc(=N)c1F | [C][C][N][=N][O][C][=Branch1][C][=N][C][=Ring1][#Branch1][F] |
Cc1oncc(=O)c1F | [C][C][O][N][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][F] |
Cc1onnc(=O)c1F | [C][C][O][N][=N][C][=Branch1][C][=O][C][=Ring1][#Branch1][F] |
Cc1cn[nH]c(=O)c1F | [C][C][C][=N][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][F] |
Cc1[nH]nnc(=O)c1F | [C][C][NH1][N][=N][C][=Branch1][C][=O][C][=Ring1][#Branch1][F] |
Cc1cnoc(=O)c1F | [C][C][C][=N][O][C][=Branch1][C][=O][C][=Ring1][#Branch1][F] |
Cc1nnoc(=O)c1F | [C][C][N][=N][O][C][=Branch1][C][=O][C][=Ring1][#Branch1][F] |
Cc1c(F)[nH]ncc1=O | [C][C][=C][Branch1][C][F][NH1][N][=C][C][Ring1][#Branch1][=O] |
Cc1c(F)cn[nH]c1=O | [C][C][=C][Branch1][C][F][C][=N][NH1][C][Ring1][#Branch1][=O] |
Cc1c(F)cnnc1F | [C][C][=C][Branch1][C][F][C][=N][N][=C][Ring1][#Branch1][F] |
Cc1c(F)cnoc1=N | [C][C][=C][Branch1][C][F][C][=N][O][C][Ring1][#Branch1][=N] |
Cc1c(F)cnoc1=O | [C][C][=C][Branch1][C][F][C][=N][O][C][Ring1][#Branch1][=O] |
Cc1c(N)nnnc1F | [C][C][=C][Branch1][C][N][N][=N][N][=C][Ring1][#Branch1][F] |
Cc1c(F)[nH]nnc1=O | [C][C][=C][Branch1][C][F][NH1][N][=N][C][Ring1][#Branch1][=O] |
Cc1c(F)nnoc1=N | [C][C][=C][Branch1][C][F][N][=N][O][C][Ring1][#Branch1][=N] |
Cc1c(F)nnoc1=O | [C][C][=C][Branch1][C][F][N][=N][O][C][Ring1][#Branch1][=O] |
Cc1c(N)cnnc1F | [C][C][=C][Branch1][C][N][C][=N][N][=C][Ring1][#Branch1][F] |
Cc1c(F)oncc1=N | [C][C][=C][Branch1][C][F][O][N][=C][C][Ring1][#Branch1][=N] |
Cc1c(F)oncc1=O | [C][C][=C][Branch1][C][F][O][N][=C][C][Ring1][#Branch1][=O] |
Cc1c(F)onnc1=N | [C][C][=C][Branch1][C][F][O][N][=N][C][Ring1][#Branch1][=N] |
Cc1c(F)onnc1=O | [C][C][=C][Branch1][C][F][O][N][=N][C][Ring1][#Branch1][=O] |
Cc1cc(N)c(F)nn1 | [C][C][=C][C][Branch1][C][N][=C][Branch1][C][F][N][=N][Ring1][Branch2] |
Cc1cc(=N)c(F)no1 | [C][C][=C][C][=Branch1][C][=N][C][Branch1][C][F][=N][O][Ring1][Branch2] |
Cc1cc(N)nnc1F | [C][C][=C][C][Branch1][C][N][=N][N][=C][Ring1][#Branch1][F] |
Cc1cc(=N)onc1F | [C][C][=C][C][=Branch1][C][=N][O][N][=C][Ring1][#Branch1][F] |
Cc1cc(=O)c(F)no1 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][C][F][=N][O][Ring1][Branch2] |
Cc1cc(=O)[nH]nc1F | [C][C][=C][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][F] |
Cc1cc(=O)onc1F | [C][C][=C][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch1][F] |
Cc1cc(F)nnc1N | [C][C][=C][C][Branch1][C][F][=N][N][=C][Ring1][#Branch1][N] |
Cc1cc(F)n[nH]c1=O | [C][C][=C][C][Branch1][C][F][=N][NH1][C][Ring1][#Branch1][=O] |
Cc1cc(F)noc1=N | [C][C][=C][C][Branch1][C][F][=N][O][C][Ring1][#Branch1][=N] |
Cc1cc(F)noc1=O | [C][C][=C][C][Branch1][C][F][=N][O][C][Ring1][#Branch1][=O] |
Cc1cnnc(F)c1N | [C][C][=C][N][=N][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Cc1conc(F)c1=N | [C][C][=C][O][N][=C][Branch1][C][F][C][Ring1][#Branch1][=N] |
Cc1conc(F)c1=O | [C][C][=C][O][N][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
Cc1nc(=N)c(F)no1 | [C][C][=N][C][=Branch1][C][=N][C][Branch1][C][F][=N][O][Ring1][Branch2] |
Cc1nc(N)nnc1F | [C][C][=N][C][Branch1][C][N][=N][N][=C][Ring1][#Branch1][F] |
Cc1nc(=N)onc1F | [C][C][=N][C][=Branch1][C][=N][O][N][=C][Ring1][#Branch1][F] |
Cc1nc(=O)c(F)no1 | [C][C][=N][C][=Branch1][C][=O][C][Branch1][C][F][=N][O][Ring1][Branch2] |
Cc1[nH]c(=O)nnc1F | [C][C][NH1][C][=Branch1][C][=O][N][=N][C][=Ring1][#Branch1][F] |
Cc1nc(=O)onc1F | [C][C][=N][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch1][F] |
Cc1nc(F)nnc1N | [C][C][=N][C][Branch1][C][F][=N][N][=C][Ring1][#Branch1][N] |
Cc1nc(F)n[nH]c1=O | [C][C][=N][C][Branch1][C][F][=N][NH1][C][Ring1][#Branch1][=O] |
Cc1nc(F)noc1=N | [C][C][=N][C][Branch1][C][F][=N][O][C][Ring1][#Branch1][=N] |
Cc1nc(F)noc1=O | [C][C][=N][C][Branch1][C][F][=N][O][C][Ring1][#Branch1][=O] |
Cc1cc(F)c(N)nn1 | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][N][N][=N][Ring1][Branch2] |
Cc1nnc(N)c(F)n1 | [C][C][=N][N][=C][Branch1][C][N][C][Branch1][C][F][=N][Ring1][Branch2] |
Cc1nnc(N)cc1F | [C][C][=N][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][F] |
Cc1nnc(N)nc1F | [C][C][=N][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][F] |
Cc1cc(F)c(=O)[nH]n1 | [C][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][N][=Ring1][Branch2] |
Cc1n[nH]c(=O)c(F)n1 | [C][C][=N][NH1][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Cc1n[nH]c(=O)cc1F | [C][C][=N][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Cc1n[nH]c(=O)nc1F | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
Cc1nnc(F)cc1N | [C][C][=N][N][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N] |
Cc1nnc(F)nc1N | [C][C][=N][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1][N] |
Cc1nncc(F)c1N | [C][C][=N][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N] |
Cc1cc(F)c(=N)on1 | [C][C][C][=C][Branch1][C][F][C][=Branch1][C][=N][O][N][=Ring1][Branch2] |
Cc1noc(=N)c(F)n1 | [C][C][=N][O][C][=Branch1][C][=N][C][Branch1][C][F][=N][Ring1][Branch2] |
Cc1noc(=N)cc1F | [C][C][=N][O][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][F] |
Cc1noc(=N)nc1F | [C][C][=N][O][C][=Branch1][C][=N][N][=C][Ring1][#Branch1][F] |
Cc1cc(F)c(=O)on1 | [C][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][O][N][=Ring1][Branch2] |
Cc1noc(=O)c(F)n1 | [C][C][=N][O][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Cc1noc(=O)cc1F | [C][C][=N][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Cc1noc(=O)nc1F | [C][C][=N][O][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
Cc1noc(F)cc1=N | [C][C][=N][O][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N] |
Cc1noc(F)cc1=O | [C][C][=N][O][C][Branch1][C][F][=C][C][Ring1][#Branch1][=O] |
Cc1noc(F)nc1=N | [C][C][=N][O][C][Branch1][C][F][=N][C][Ring1][#Branch1][=N] |
Cc1noc(F)nc1=O | [C][C][=N][O][C][Branch1][C][F][=N][C][Ring1][#Branch1][=O] |
Cc1nocc(F)c1=N | [C][C][=N][O][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N] |
Cc1nocc(F)c1=O | [C][C][=N][O][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
Cc1nonc(F)c1=N | [C][C][=N][O][N][=C][Branch1][C][F][C][Ring1][#Branch1][=N] |
Cc1nonc(F)c1=O | [C][C][=N][O][N][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
CCc1cnc(F)nn1 | [C][C][C][=C][N][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
CCc1ncc(F)nn1 | [C][C][C][=N][C][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
Cn1cc(F)c(=N)cn1 | [C][N][C][=C][Branch1][C][F][C][=Branch1][C][=N][C][=N][Ring1][Branch2] |
Cn1cc(F)c(=N)nn1 | [C][N][C][=C][Branch1][C][F][C][=Branch1][C][=N][N][=N][Ring1][Branch2] |
Cn1cc(F)c(=O)cn1 | [C][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][C][=N][Ring1][Branch2] |
Cn1cc(F)c(=O)nn1 | [C][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][N][=N][Ring1][Branch2] |
Cn1ccc(=N)c(F)n1 | [C][N][C][=C][C][=Branch1][C][=N][C][Branch1][C][F][=N][Ring1][Branch2] |
Cn1ccc(=O)c(F)n1 | [C][N][C][=C][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Cn1cnc(=N)c(F)n1 | [C][N][C][=N][C][=Branch1][C][=N][C][Branch1][C][F][=N][Ring1][Branch2] |
Cn1cnc(=O)c(F)n1 | [C][N][C][=N][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Cn1nc(F)ccc1=N | [C][N][N][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N] |
Cn1nc(F)ccc1=O | [C][N][N][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=O] |
Cn1nc(F)cnc1=N | [C][N][N][=C][Branch1][C][F][C][=N][C][Ring1][#Branch1][=N] |
Cn1nc(F)cnc1=O | [C][N][N][=C][Branch1][C][F][C][=N][C][Ring1][#Branch1][=O] |
Cn1nc(F)ncc1=N | [C][N][N][=C][Branch1][C][F][N][=C][C][Ring1][#Branch1][=N] |
Cn1nc(F)ncc1=O | [C][N][N][=C][Branch1][C][F][N][=C][C][Ring1][#Branch1][=O] |
Cn1ncc(=N)c(F)n1 | [C][N][N][=C][C][=Branch1][C][=N][C][Branch1][C][F][=N][Ring1][Branch2] |
Cn1ncc(=N)cc1F | [C][N][N][=C][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][F] |
Cn1ncc(=N)nc1F | [C][N][N][=C][C][=Branch1][C][=N][N][=C][Ring1][#Branch1][F] |
Cn1ncc(=O)c(F)n1 | [C][N][N][=C][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Cn1ncc(=O)cc1F | [C][N][N][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Cn1ncc(=O)nc1F | [C][N][N][=C][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |