pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	AttenGpKa training set	0	-1	CCOC(=O)[C@@H](C)C#N	CCOC(=O)[C-](C)C#N	mol27672	CCOC(=O)C(C)C#N