pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	AttenGpKa training set	0	-1	CC(C)[C@@H](O)CC(=O)O	CC(C)[C@@H](O)CC(=O)[O-]	mol22256	CC(C)C(O)CC(=O)O