pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	OCHEM	0	-1	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1	CCOP(=O)(OCC)c1ccc(C(=O)[O-])cc1	mol1897	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1
3.615	OCHEM	0	-1	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1	CCOP(=O)(OCC)c1ccc(C(=O)[O-])cc1	mol1897	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1
3.59999990463257	QSARToolbox	0	-1	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1	CCOP(=O)(OCC)c1ccc(C(=O)[O-])cc1	mol1897	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1
3.63000011444092	QSARToolbox	0	-1	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1	CCOP(=O)(OCC)c1ccc(C(=O)[O-])cc1	mol1897	CCOP(=O)(OCC)c1ccc(C(=O)O)cc1