pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.68	AttenGpKa training set	0	-1	CC(C)c1ccc([C@H](C)CC(=O)O)cc1	CC(C)c1ccc([C@H](C)CC(=O)[O-])cc1	mol23453	CC(C)c1ccc(C(C)CC(=O)O)cc1