pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.43	AttenGpKa training set	0	-1	CCOC(=O)[C@@H](C#N)[C@@](C#N)(c1ccccc1)c1ccc(C)cc1	CCOC(=O)[C-](C#N)[C@@](C#N)(c1ccccc1)c1ccc(C)cc1	mol27351	CCOC(=O)C(C#N)C(C#N)(c1ccccc1)c1ccc(C)cc1