SMILES stringlengths 9 127 | Count int64 1 1 |
|---|---|
[H][n]1[n][n][c]([O][C]([H])([H])[C]#[N])[n]1 | 1 |
[H][n]1[n][n][c]([O][C]([H])([H])[C]([H])([H])[C]([H])([H])[H])[n]1 | 1 |
[H][n]1[n][n][c]([O][C]([H])([H])[C]([H])([H])[H])[c]1[C]([H])([H])[H] | 1 |
[H][n]1[n][n][c]([O][C]([H])([H])[H])[c]1[C]([H])([H])[H] | 1 |
[H][n]1[n][n][c]([O][C]([H])([H])[H])[n]1 | 1 |
[H][n]1[n][n][c]([O][C]2([H])[C]([H])([H])[C]2([H])[H])[n]1 | 1 |
[H][n]1[n][n][c]2[c]([C]([H])([H])[H])[n][n]([H])[c]21 | 1 |
[H][n]1[n][n][c]2[c]1[C@@]([H])([C]([H])([H])[H])[C]([H])([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C@@]([H])([C]([H])([H])[H])[O][C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C@@]1([H])[C]([H])([H])[C@@]1([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C@]1([H])[C]([H])([H])[C@@]2([H])[C]1([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C@]1([H])[N@H+]([C]2([H])[H])[C]1([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C@]1([H])[O][C@@]2([H])[C]1([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C@]1([H])[O][C@]1([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C@@]1([H])[N]2[C]1([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C@@]1([H])[O][C@@]21[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C@]1([H])[C]([H])([H])[C@]21[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C](=[O])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C]([H])([H])[C@]2([H])[C]([H])([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C]([H])([H])[C]([H])([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C]([H])([H])[C]([H])([H])[O]2 | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C]([H])([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C]([H])([H])[N]2[C]([H])([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C]([H])([H])[O]2 | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[C]([H])([H])[O][C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[N@@H+]([C]([H])([H])[H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[N@@H+]1[C]([H])([H])[C@]21[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[O][C@]2([H])[C]([H])([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[O][C]([H])([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[O][C]([H])([H])[O]2 | 1 |
[H][n]1[n][n][c]2[c]1[C]([H])([H])[O][C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[C]1([H])[C]([H])([H])[N]2[C]1([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[N]([C]([H])([H])[H])[C]([H])([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[N]1[C]([H])([H])[C]2([H])[C]1([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[O][C@]1([H])[C]([H])([H])[C@]21[H] | 1 |
[H][n]1[n][n][c]2[c]1[O][C]([H])([H])[C]([H])([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[O][C]([H])([H])[C]2([H])[H] | 1 |
[H][n]1[n][n][c]2[c]1[n][c]([C]([H])([H])[H])[n]2[H] | 1 |
[H][n]1[n][n][c]2[n][c]([C]([H])([H])[H])[n]([H])[c]21 | 1 |
[H][n]1[n][n][c]2[n][n][n]([C]([H])([H])[H])[c]21 | 1 |
[H][n]1[n][n][c]2[o][c](=[O])[n]([H])[c]21 | 1 |
[H][n]1[n][n][n+]([C]([H])([H])[C]([H])([H])[H])[c]1[NH][C]([H])([H])[H] | 1 |
[H][n]1[n][n][n+]([H])[c]1[NH][C]([H])([C]([H])([H])[H])[C]([H])([H])[H] | 1 |
[H][n]1[n][n][n+]([H])[c]1[NH][C]([H])([H])[C]#[N] | 1 |
[H][n]1[n][n][n+]([H])[c]1[NH][C]([H])([H])[C]([H])([H])[C]([H])([H])[H] | 1 |
[H][n]1[n][n][n+]([H])[c]1[NH][C]([H])([H])[C]([H])([H])[H] | 1 |
[H][n]1[n][n][n+]([H])[c]1[NH][C]([H])([H])[H] | 1 |
[H][n]1[n][n][n]([C](=[O])[C]([H])([H])[H])[c]1=[O] | 1 |
[H][n]1[n][n][n]([C]([H])([C]([H])([H])[H])[C]([H])([H])[H])[c]1=[O] | 1 |
[H][n]1[n][n][n]([C]([H])([H])[C]([H])([H])[C]([H])([H])[H])[c]1=[O] | 1 |
[H][n]1[n][n][n]([C]([H])([H])[C]([H])([H])[H])[c]1=[O] | 1 |
[H][n]1[n][n][n]([C]([H])([H])[H])[c]1=[O] | 1 |
[H][n]1[n][n][n]([C]2([H])[C]([H])([H])[C]2([H])[H])[c]1=[O] | 1 |
[H][n]1[n][n][n]([H])[c](=[O])[c]1=[O] | 1 |
[H][n]1[n][n][n]([H])[c]1=[O] | 1 |
[H][n]1[n][n][o][c]1=[O] | 1 |
[NH2][NH][CH]1[O][C](=[O])[O][C]1=[O] | 1 |
[NH]=[NH].[N]#[C][C](=[O])[NH][CH]=[O] | 1 |
[NH]=[NH].[O]=[CH][NH][C](=[O])[F] | 1 |
[NH]=[NH].[O]=[C]([F])[CH]([F])[CH2][OH] | 1 |
[N]#[C][C]#[C][C]#[C][C]#[N] | 1 |
[N]#[C][C]#[C][C]#[N] | 1 |
[N]#[C][C]#[C][C](=[O])[C]#[N] | 1 |
[N]#[C][C]#[C][C]([F])([F])[F] | 1 |
[N]#[C][C]#[C][c]1[n][n][o][n]1 | 1 |
[N]#[C][C]#[N] | 1 |
[N]#[C][C](=[O])[C]#[N] | 1 |
[N]#[C][C](=[O])[C](=[O])[C]#[N] | 1 |
[N]#[C][C](=[O])[C]([F])([F])[F] | 1 |
[N]#[C][C](=[O])[c]1[n][n][o][n]1 | 1 |
[N]#[C][C](=[O])[n]1[n][n][n][n]1 | 1 |
[N]#[C][C]([C]#[N])([C]#[N])[C]#[N] | 1 |
[N]#[C][C]([F])([F])[F] | 1 |
[N]#[C][c]1[n][n][o][n]1 | 1 |
[N]#[C][c]1[n][o][c](=[O])[o]1 | 1 |
[N]#[C][c]1[n][o][c]([C]#[N])[n]1 | 1 |
[N]#[C][c]1[n][o][n][c]1[C]#[N] | 1 |
[O]=[CH][NH]/[C]([F])=[N]\[C](=[O])[F] | 1 |
[O]=[N+]([O-])[c]1[n][n][o][n]1 | 1 |
[O]=[c]1[c]([F])[n][o][n][c]1[F] | 1 |
[O]=[c]1[n][c]([F])[c]([F])[n][o]1 | 1 |
[O]=[c]1[n][c]([F])[n][n][o]1 | 1 |
[O]=[c]1[n][c]([F])[o][c]([F])[n]1 | 1 |
[O]=[c]1[n][n][o][n][c]1[F] | 1 |
[O]=[c]1[n][n][o][n][n]1 | 1 |
[O]=[c]1[o][n][c]([F])[o][c]1=[O] | 1 |
[O]=[c]1[o][n][c]([N+](=[O])[O-])[o]1 | 1 |
[O]=[c]1[o][n][n][c]([F])[c]1[F] | 1 |
[O]=[c]1[o][n][n][o]1 | 1 |
[O]=[c]1[o][n][n][o][c]1=[O] | 1 |
[n]1[n][c]2[n][o][n][c]2[o]1 | 1 |
[n]1[n][c]2[o][n][n][c]2[o]1 | 1 |
[n]1[n][c]2[o][n][n][n+]2[nH]1 | 1 |
[n]1[n][n][o][n]1 | 1 |
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