molecule_smiles
stringlengths 1
1.15k
| SELFIES
stringlengths 3
4.03k
|
|---|---|
Nc1nnc(F)nc1N | [N][C][=N][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1][N] |
Nc1nc(F)n[nH]c1=O | [N][C][=N][C][Branch1][C][F][=N][NH1][C][Ring1][#Branch1][=O] |
N=c1onc(F)nc1N | [N][=C][O][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1][N] |
Nc1nc(F)noc1=O | [N][C][=N][C][Branch1][C][F][=N][O][C][Ring1][#Branch1][=O] |
Nc1nnc(N)c(F)n1 | [N][C][=N][N][=C][Branch1][C][N][C][Branch1][C][F][=N][Ring1][Branch2] |
Nc1cc(F)c(N)nn1 | [N][C][=C][C][Branch1][C][F][=C][Branch1][C][N][N][=N][Ring1][Branch2] |
Nc1cc(F)c(=O)[nH]n1 | [N][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][N][=Ring1][Branch2] |
Nc1n[nH]c(=O)c(F)n1 | [N][C][=N][NH1][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Nc1n[nH]c(=O)cc1F | [N][C][=N][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Nc1n[nH]c(=O)nc1F | [N][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
N=c1onc(N)cc1F | [N][=C][O][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][F] |
N=c1onc(N)nc1F | [N][=C][O][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][F] |
N=c1cc(F)c(N)no1 | [N][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=N][O][Ring1][Branch2] |
N=c1nc(F)c(N)no1 | [N][=C][N][=C][Branch1][C][F][C][Branch1][C][N][=N][O][Ring1][Branch2] |
Nc1cc(F)c(=O)on1 | [N][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][O][N][=Ring1][Branch2] |
Nc1noc(=O)c(F)n1 | [N][C][=N][O][C][=Branch1][C][=O][C][Branch1][C][F][=N][Ring1][Branch2] |
Nc1noc(=O)cc1F | [N][C][=N][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][F] |
Nc1noc(=O)nc1F | [N][C][=N][O][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
N=c1cc(F)onc1N | [N][=C][C][=C][Branch1][C][F][O][N][=C][Ring1][#Branch1][N] |
Nc1noc(F)cc1=O | [N][C][=N][O][C][Branch1][C][F][=C][C][Ring1][#Branch1][=O] |
N=c1nc(F)onc1N | [N][=C][N][=C][Branch1][C][F][O][N][=C][Ring1][#Branch1][N] |
Nc1noc(F)nc1=O | [N][C][=N][O][C][Branch1][C][F][=N][C][Ring1][#Branch1][=O] |
N=c1c(F)conc1N | [N][=C][C][Branch1][C][F][=C][O][N][=C][Ring1][#Branch1][N] |
Nc1nocc(F)c1=O | [N][C][=N][O][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
N=c1c(N)nonc1F | [N][=C][C][Branch1][C][N][=N][O][N][=C][Ring1][#Branch1][F] |
Nc1nonc(F)c1=O | [N][C][=N][O][N][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
N=c1cnoc(F)c1F | [N][=C][C][=N][O][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
N=c1nnoc(F)c1F | [N][=C][N][=N][O][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
N=c1o[nH]cc(F)c1=O | [N][=C][O][NH1][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O] |
N=c1oncc(F)c1F | [N][=C][O][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
N=c1onnc(F)c1F | [N][=C][O][N][=N][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
O=c1cnoc(F)c1F | [O][=C][C][=N][O][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
O=c1nnoc(O)c1F | [O][=C][N][=N][O][C][Branch1][C][O][=C][Ring1][#Branch1][F] |
O=c1nnoc(F)c1F | [O][=C][N][=N][O][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
O=c1[nH]ncc(F)c1F | [O][=C][NH1][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
O=c1oncc(F)c1F | [O][=C][O][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
O=c1onnc(F)c1F | [O][=C][O][N][=N][C][Branch1][C][F][=C][Ring1][#Branch1][F] |
N=c1cc(F)onc1F | [N][=C][C][=C][Branch1][C][F][O][N][=C][Ring1][#Branch1][F] |
Nc1cc(F)c(F)nn1 | [N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][N][=N][Ring1][Branch2] |
N=c1cc(F)c(F)no1 | [N][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=N][O][Ring1][Branch2] |
O=c1cc(F)onc1F | [O][=C][C][=C][Branch1][C][F][O][N][=C][Ring1][#Branch1][F] |
O=c1cc(F)c(F)n[nH]1 | [O][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=N][NH1][Ring1][Branch2] |
O=c1cc(F)c(F)no1 | [O][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=N][O][Ring1][Branch2] |
O=Cc1ncc(F)nn1 | [O][=C][C][=N][C][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
C#Cc1ncc(F)nn1 | [C][#C][C][=N][C][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
N#Cc1ncc(F)nn1 | [N][#C][C][=N][C][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
N=c1c(F)conc1F | [N][=C][C][Branch1][C][F][=C][O][N][=C][Ring1][#Branch1][F] |
O=c1c(F)conc1F | [O][=C][C][Branch1][C][F][=C][O][N][=C][Ring1][#Branch1][F] |
N=c1nc(F)onc1F | [N][=C][N][=C][Branch1][C][F][O][N][=C][Ring1][#Branch1][F] |
O=c1[nH]c(=O)c(F)no1 | [O][=C][NH1][C][=Branch1][C][=O][C][Branch1][C][F][=N][O][Ring1][Branch2] |
O=c1nc(F)onc1F | [O][=C][N][=C][Branch1][C][F][O][N][=C][Ring1][#Branch1][F] |
O=Cc1cnc(F)nn1 | [O][=C][C][=C][N][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
C#Cc1cnc(F)nn1 | [C][#C][C][=C][N][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
N#Cc1cnc(F)nn1 | [N][#C][C][=C][N][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
Nc1nnc(F)cc1F | [N][C][=N][N][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
Nc1nnc(F)nc1F | [N][C][=N][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1][F] |
Nc1nc(=O)c(F)n[nH]1 | [N][C][=N][C][=Branch1][C][=O][C][Branch1][C][F][=N][NH1][Ring1][Branch2] |
O=c1nc(F)c(=O)[nH][nH]1 | [O][=C][N][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][NH1][Ring1][Branch2] |
N=c1onc(F)oc1=N | [N][=C][O][N][=C][Branch1][C][F][O][C][Ring1][#Branch1][=N] |
N=c1onc(F)oc1=O | [N][=C][O][N][=C][Branch1][C][F][O][C][Ring1][#Branch1][=O] |
N=c1o[nH]c(F)cc1=O | [N][=C][O][NH1][C][Branch1][C][F][=C][C][Ring1][#Branch1][=O] |
N=c1onc(F)cc1F | [N][=C][O][N][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
N=c1o[nH]c(=O)nc1F | [N][=C][O][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][F] |
N=c1o[nH]c(F)nc1=O | [N][=C][O][NH1][C][Branch1][C][F][=N][C][Ring1][#Branch1][=O] |
N=c1onc(F)nc1F | [N][=C][O][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1][F] |
N=c1nc(F)c(F)no1 | [N][=C][N][=C][Branch1][C][F][C][Branch1][C][F][=N][O][Ring1][Branch2] |
N=c1onc(F)c(=O)o1 | [N][=C][O][N][=C][Branch1][C][F][C][=Branch1][C][=O][O][Ring1][Branch2] |
N=c1oc(F)noc1=O | [N][=C][O][C][Branch1][C][F][=N][O][C][Ring1][#Branch1][=O] |
O=c1onc(F)oc1=O | [O][=C][O][N][=C][Branch1][C][F][O][C][Ring1][#Branch1][=O] |
O=c1onc(F)cc1F | [O][=C][O][N][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
O=c1onc(F)nc1F | [O][=C][O][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1][F] |
O=c1nc(F)c(F)no1 | [O][=C][N][=C][Branch1][C][F][C][Branch1][C][F][=N][O][Ring1][Branch2] |
N=c1oc(=O)onc1F | [N][=C][O][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch1][F] |
N=c1c(F)nonc1F | [N][=C][C][Branch1][C][F][=N][O][N][=C][Ring1][#Branch1][F] |
O=c1c(F)nonc1F | [O][=C][C][Branch1][C][F][=N][O][N][=C][Ring1][#Branch1][F] |
OCc1cnc(F)nn1 | [O][C][C][=C][N][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
OCc1ncc(F)nn1 | [O][C][C][=N][C][=C][Branch1][C][F][N][=N][Ring1][#Branch1] |
FC(F)(F)c1ccc[nH]1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][NH1][Ring1][Branch1] |
FC(F)(F)c1ccco1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][O][Ring1][Branch1] |
FC(F)(F)c1c[nH]cn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][NH1][C][=N][Ring1][Branch1] |
FC(F)(F)c1cnco1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][O][Ring1][Branch1] |
FC(F)(F)c1ncc[nH]1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][=C][NH1][Ring1][Branch1] |
FC(F)(F)c1ncco1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][=C][O][Ring1][Branch1] |
FC(F)(F)c1cc[nH]c1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][NH1][C][=Ring1][Branch1] |
FC(F)(F)c1ccoc1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][O][C][=Ring1][Branch1] |
FC(F)(F)c1cocn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][O][C][=N][Ring1][Branch1] |
FC(F)(F)c1cc[nH]n1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][NH1][N][=Ring1][Branch1] |
FC(F)(F)c1ccno1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][O][Ring1][Branch1] |
FC(F)(F)c1cnno1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=N][O][Ring1][Branch1] |
FC(F)(F)c1cn[nH]c1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=N][NH1][C][=Ring1][Branch1] |
FC(F)(F)c1c[nH]nn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][NH1][N][=N][Ring1][Branch1] |
FC(F)(F)c1cnoc1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=N][O][C][=Ring1][Branch1] |
FC(F)(F)c1conn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][O][N][=N][Ring1][Branch1] |
FC(F)(F)c1ncno1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][=N][O][Ring1][Branch1] |
FC(F)(F)c1nc[nH]n1 | [F][C][Branch1][C][F][Branch1][C][F][C][N][=C][NH1][N][=Ring1][Branch1] |
FC(F)(F)c1ccon1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][O][N][=Ring1][Branch1] |
FC(F)(F)c1ncon1 | [F][C][Branch1][C][F][Branch1][C][F][C][N][=C][O][N][=Ring1][Branch1] |
FC(F)(F)c1cnon1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=N][O][N][=Ring1][Branch1] |
FC(F)(F)c1nnon1 | [F][C][Branch1][C][F][Branch1][C][F][C][N][=N][O][N][=Ring1][Branch1] |
CC#CC#CC(F)(F)F | [C][C][#C][C][#C][C][Branch1][C][F][Branch1][C][F][F] |