pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.86	AttenGpKa training set	0	-1	Cc1ccc([C@H](CC(=O)O)C(C)C)cc1	Cc1ccc([C@H](CC(=O)[O-])C(C)C)cc1	mol23454	Cc1ccc(C(CC(=O)O)C(C)C)cc1