pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.55	AttenGpKa training set	1	0	CC(C)[C@@](C)(C#[NH+])NC(=O)c1ccc([N+](=O)[O-])cc1	CC(C)[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1	mol27309	CC(C)C(C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1