SMILES stringlengths 9 127 | Count int64 1 1 |
|---|---|
[H][C-]1[C@H]2[C]([H])([H])[N@H+]3[C@]([H])([C@@]23[H])[C@]12[O][C]2([H])[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[N@H+]3[C@]4([C]1([H])[H])[C]([H])([H])[C@@]3([H])[C@]24[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[N@H+]3[C@]4([H])[C@@]([H])([O][C@]14[H])[C@@]23[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[N@H+]3[C]([H])([H])[C@@]([H])([C]1([H])[H])[C@@]23[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[N@H+]3[C]([H])([H])[C@]([H])([C@@]23[H])[C@@]1([H])[C]([H])([H])[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[NH2+][C@H]3[N]([H])[C@@]([H])([C]1([H])[H])[C@]32[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[NH2+][C@H]3[O][C@@]([H])([C]1([H])[H])[C@]32[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@@]2([H])[C@@]2([C]([H])([H])[H])[C]([H])([H])[C@@]12[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@@]2([H])[C@@]2([C]([H])([H])[H])[N]([H])[C@@]12[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@@]2([H])[C@@]2([H])[C]([H])([H])[C@@]12[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@@]2([H])[C@@]2([H])[N]([H])[C@@]12[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@@]2([H])[C@@]2([H])[O][C@@]12[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@@]2([H])[C@]2([H])[C@@]1([H])[C@]2([H])[C]([H])([H])[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@]23[C]([H])([H])[C]([H])([H])[C@]3([H])[C]1([H])[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@]3([H])[C@@]2([H])[C@]3([C]([H])([H])[H])[C]1([H])[H] | 1 |
[H][C-]1[C@H]2[C]([H])([H])[O][C@]3([H])[C@@]2([H])[C@]3([H])[C]1([H])[H] | 1 |
[H][C-]1[C@H]2[C]3([C]([H])([H])[C]3([H])[H])[C@]3([H])[C@@]2([H])[C@]3([H])[C]1([H])[H] | 1 |
[H][C-]1[C@H]2[C]3([N@@H+]4[C@@]2([H])[C@]4([H])[C]1([H])[H])[C]([H])([H])[C]3([H])[H] | 1 |
[H][C-]1[C](=[O])[C@@]2([C]([H])([H])[H])[N@H+]3[C]([H])([H])[C@@H]1[C@]32[H] | 1 |
[H][C-]1[C](=[O])[C@@]2([H])[C@@]3([H])[C@@H]1[C@]1([H])[C@@]3([H])[C@]21[H] | 1 |
[H][C-]1[C](=[O])[C@@]2([H])[C@@]3([H])[C@@H]1[C]([H])([H])[C@@]23[H] | 1 |
[H][C-]1[C](=[O])[C@@]2([H])[C@@]3([H])[C@@H]1[C]([H])([H])[C]([H])([H])[C@@]23[H] | 1 |
[H][C-]1[C](=[O])[C@@]2([H])[C@@]3([H])[C@@H]1[N@H+]1[C@]2([H])[C@]13[H] | 1 |
[H][C-]1[C](=[O])[C@@]2([H])[C]([H])([H])[C@@]([H])([C]1=[O])[N+]2([H])[H] | 1 |
[H][C-]1[C](=[O])[C@@]2([H])[N@@H+]3[C@]4([H])[C@@]2([H])[C@H]1[C@]34[H] | 1 |
[H][C-]1[C](=[O])[C@]2([C]([H])([H])[H])[C@]3([H])[C@H]1[C]([H])([H])[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([C]([H])([H])[H])[C@]3([H])[C@H]1[N]([H])[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([C]([H])([H])[H])[N@@H+]3[C@H]1[C]([H])([H])[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C@@]3([H])[N@H+]4[C@]2([H])[C@@H]1[C@]43[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C@]3([H])[C@H]1[C]([H])([H])[C@]23[C]([H])([H])[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C@]3([H])[C@H]1[N]([H])[C@]23[C]([H])([H])[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C@]3([H])[C]([H])([H])[C@H]1[C@]23[C]([H])([H])[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C@]3([H])[N]([H])[C@H]1[C@]23[C]([H])([H])[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C]([H])([H])[C@]3([H])[C]([H])([H])[C@H]1[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C]([H])([H])[C@]3([H])[N]([H])[C@H]1[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[C]([H])([H])[N@@H+]3[C]([H])([H])[C@H]1[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[N@@H+]3[C]([H])([H])[C@H]1[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[N@@H+]3[C]([H])([H])[C]([H])([H])[C@H]1[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C@]2([H])[O][C@]3([H])[C]([H])([H])[C@H]1[C@]23[H] | 1 |
[H][C-]1[C](=[O])[C]([H])([H])[C@@]2([H])[N@H+]3[C]([H])([H])[C@@H]1[C@]32[H] | 1 |
[H][C-]1[C](=[O])[C]([H])([H])[C@]2([H])[C@]3([H])[C@H]1[C]([H])([H])[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[C]([H])([H])[C@]2([H])[C@]3([H])[C@H]1[N]([H])[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[N]([H])[C@]2([H])[C@]3([H])[C@H]1[C]([H])([H])[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[N]([H])[C@]2([H])[C@]3([H])[C@H]1[N]([H])[C@@]32[H] | 1 |
[H][C-]1[C](=[O])[N]2[C@@]3([C]([H])([H])[H])[C]([H])([H])[C@@H]1[C@@]23[H] | 1 |
[H][C-]1[C](=[O])[N]2[C@@]3([H])[C@@H]1[C]([H])([H])[C@@]23[H] | 1 |
[H][C-]1[C](=[O])[N]2[C@@]3([H])[C@@H]1[C]([H])([H])[C]([H])([H])[C@@]23[H] | 1 |
[H][C-]1[C](=[O])[N]2[C@@]3([H])[C@@H]1[N]([H])[C]([H])([H])[C@@]23[H] | 1 |
[H][C-]1[C](=[O])[N]2[C@]3([H])[C]([H])([H])[C@H]1[C@]23[C]([H])([H])[H] | 1 |
[H][C-]1[C](=[O])[N]2[C]([H])([H])[C@]3([H])[C]([H])([H])[C@H]1[C@]23[H] | 1 |
[H][C-]1[C](=[O])[N]2[C]([H])([H])[C@]3([H])[N]([H])[C@H]1[C@]23[H] | 1 |
[H][C-]1[C](=[O])[O][C@@]2([C]([H])([H])[H])[C@@H]1[C]([H])([H])[C]2([H])[H] | 1 |
[H][C-]1[C](=[O])[O][C@]2([H])[C@]3([H])[C@H]1[C]([H])([H])[C@]23[H] | 1 |
[H][C-]1[C](=[O])[O][C@]2([H])[C@]3([H])[C@H]1[N]([H])[C@]23[H] | 1 |
[H][C-]1[C]([C]#[N])=[C]([NH][C]([H])([H])[H])[O][C]1([H])[H] | 1 |
[H][C-]1[C]([C]([H])([H])[C]([H])([H])[H])=[C]([NH][C]([H])([H])[H])[O][C]1([H])[H] | 1 |
[H][C-]1[C]([C]([H])([H])[H])=[C]([NH][C]([H])([H])[C]([H])([H])[H])[O][C]1([H])[H] | 1 |
[H][C-]1[C]([C]([H])([H])[H])=[C]([NH][C]([H])([H])[H])[O][C@@]1([H])[C]([H])([H])[H] | 1 |
[H][C-]1[C]2=[C]([NH][C@@]([H])([C]([H])([H])[H])[C]2([H])[H])[O][C]1([H])[H] | 1 |
[H][C-]1[C]2=[N][O][NH][C]2=[C]([N+]([H])([H])[H])[C-]1[H] | 1 |
[H][C-]1[c]2[nH][n][n][c]2[O][C]1([H])[H].[H][N]([H])[H] | 1 |
[H][C@@]1([C]#[N])[C@@]2([H])[C@]3([H])[N@@H+]4[C@@]2([H])[C@]4([H])[C@]13[H] | 1 |
[H][C@@]1([C]#[N])[C@@]2([H])[C](=[O])[C@]3([H])[C@@]2([H])[C@]13[H] | 1 |
[H][C@@]1([C]#[N])[C@@]2([H])[N@@H+]3[C@@]2([H])[C@@]2([H])[C@]3([H])[C@@]12[H] | 1 |
[H][C@@]1([C]#[N])[C@@]2([H])[N@@H+]3[C@@]4([H])[C@]3([H])[C@]1([H])[C@]42[H] | 1 |
[H][C@@]1([C]#[N])[C@@]2([H])[N@H+]3[C@]1([H])[C](=[O])[C@]32[H] | 1 |
[H][C@@]1([C]#[N])[C@]2([H])[O][C@@]1([H])[C@]1([H])[O][C@@]12[H] | 1 |
[H][C@@]1([C]#[N])[C@]2([H])[O][C@@]3([H])[C@]2([H])[C@@]13[H] | 1 |
[H][C@@]1([C]#[N])[C@]2([H])[O][C@]2([H])[C@]2([H])[O][C@]12[H] | 1 |
[H][C@@]1([C]#[N])[C@]2([H])[O][C](=[O])[C@]12[H] | 1 |
[H][C@@]1([C]#[N])[C@]2([H])[O][C](=[O])[O][C@]12[H] | 1 |
[H][C@@]1([C]#[N])[O][C@@]([H])([C]#[N])[C]1=[O] | 1 |
[H][C@@]1([C]#[N])[O][C@]1([H])[C](=[O])[C]#[N] | 1 |
[H][C@@]1([C]#[N])[O][C@]1([H])[C]([F])([F])[F] | 1 |
[H][C@@]12[CH2][C@@]3([H])[N@H+]4[C@]1([H])[C@]1([H])[C@@]4([H])[C@@]3([H])[C@]21[H] | 1 |
[H][C@@]12[C](=[O])[C@@]3([H])[N@H+]4[C@]1([H])[C@@]4([H])[C@@]23[H] | 1 |
[H][C@@]12[C](=[O])[C@@]3([H])[O][C@]1([C]#[N])[C@@]23[H] | 1 |
[H][C@@]12[C](=[O])[C@]3([H])[N@@H+]([C@]13[H])[C@]2([H])[C]#[N] | 1 |
[H][C@@]12[C](=[O])[N]3[C@@]4([H])[C@]3([H])[C@]1([H])[C@@]24[H] | 1 |
[H][C@@]12[C](=[O])[N]3[C@]1([H])[C@]1([H])[C@@]3([H])[C@]21[H] | 1 |
[H][C@@]12[C](=[O])[N]3[C@]1([H])[C@]2([H])[C@]3([H])[C]#[N] | 1 |
[H][C@@]12[N@@H+]3[C@@]4([H])[C@]3([H])[C@]1([H])[C@@]24[H] | 1 |
[H][C@@]12[N@H+]3[C@@]4([H])[C@]1([H])[C@@]4([H])[C@]32[C]#[N] | 1 |
[H][C@@]12[NH2+][C@@H]3[N@H+]4[C@@]5([H])[C@]3([H])[C@]1([H])[C@]2([H])[C@@]45[H] | 1 |
[H][C@@]12[O][C@@]3([C]#[N])[C@@]4([H])[C@]1([H])[C@]2([H])[C@@]34[H] | 1 |
[H][C@@]12[O][C@@]3([C]#[N])[C@]1([H])[N@H+]1[C@]2([H])[C@]13[H] | 1 |
[H][C@@]12[O][C@@]3([C]#[N])[C](=[O])[C@]1([H])[C@@]23[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]([H])([O]1)[C@@]1([H])[C@]2([H])[C@@]31[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]([H])([O]1)[C@@]3([H])[C@@]1([H])[O][C@@]21[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]([H])([O]1)[C@@]3([H])[C@]2([H])[C]#[N] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]([H])([O]1)[C@@]3([H])[C]2=[O] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]([H])([O]1)[C@]1([H])[O][C@@]3([H])[C@]21[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]([H])([O][C]1=[O])[C@@]3([H])[O]2 | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]4([H])[C@@]5([H])[C@]1([H])[C@]2([H])[C@]3([H])[C@@]45[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]4([H])[C@]1([H])[C@@]4([H])[C@@]1([H])[C@]2([H])[C@@]31[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]4([H])[C@]1([H])[C](=[O])[C@]2([H])[C@@]34[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]4([H])[C@]1([H])[N@H+]1[C@]2([H])[C@@]1([H])[C@@]34[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@@]4([H])[C@]1([H])[O][C@]2([H])[C@@]34[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@]1([H])[C@@]1([H])[N@H+]4[C@]2([H])[C@@]4([H])[C@@]31[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C@]1([H])[C@@]1([H])[N@H+]4[C@]2([H])[C@]3([H])[C@]41[H] | 1 |
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