pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.66	Hunt	0	-1	COC(=O)C(CCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCC(=O)[O-])(c1ccccc1)c1ccccc1	mol2257	COC(=O)C(CCC(=O)O)(c1ccccc1)c1ccccc1
4.65999984741211	QSARToolbox	0	-1	COC(=O)C(CCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCC(=O)[O-])(c1ccccc1)c1ccccc1	mol2257	COC(=O)C(CCC(=O)O)(c1ccccc1)c1ccccc1