pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.97	AttenGpKa training set	0	-1	CC[C@]1(c2ccccc2)C(=O)NC(=O)[C@H]1C#N	CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)[C@H]1C#N,CC[C@]1(c2ccccc2)C(=O)NC(=O)[C-]1C#N	mol11865	CCC1(c2ccccc2)C(=O)NC(=O)C1C#N