pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.35	OCHEM	0	-1	COC(=O)[C@H](CC(=O)O)c1ccccc1	COC(=O)[C@H](CC(=O)[O-])c1ccccc1	mol22611	COC(=O)C(CC(=O)O)c1ccccc1
4.3600001335144	QSARToolbox	0	-1	COC(=O)[C@H](CC(=O)O)c1ccccc1	COC(=O)[C@H](CC(=O)[O-])c1ccccc1	mol22611	COC(=O)C(CC(=O)O)c1ccccc1