pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.88	AttenGpKa training set	0	-1	CCOC(=O)[C@H](C#N)C(C#N)(c1ccccc1)c1ccccc1	CCOC(=O)[C-](C#N)C(C#N)(c1ccccc1)c1ccccc1	mol27344	CCOC(=O)C(C#N)C(C#N)(c1ccccc1)c1ccccc1