pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.81	OCHEM	0	-1	Cc1ccc(P(=O)(O)O)cc1	Cc1ccc(P(=O)([O-])O)cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1
1.8400000333786	QSARToolbox	0	-1	Cc1ccc(P(=O)(O)O)cc1	Cc1ccc(P(=O)([O-])O)cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1
1.98000001907349	QSARToolbox	0	-1	Cc1ccc(P(=O)(O)O)cc1	Cc1ccc(P(=O)([O-])O)cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1
1.94	AttenGpKa training set	0	-1	Cc1ccc(P(=O)(O)O)cc1	Cc1ccc(P(=O)([O-])O)cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1
7.33	OCHEM	-1	-2	Cc1ccc(P(=O)([O-])O)cc1	Cc1ccc(P(=O)([O-])[O-])cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1
7.23999977111816	QSARToolbox	-1	-2	Cc1ccc(P(=O)([O-])O)cc1	Cc1ccc(P(=O)([O-])[O-])cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1
7.32999992370606	QSARToolbox	-1	-2	Cc1ccc(P(=O)([O-])O)cc1	Cc1ccc(P(=O)([O-])[O-])cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1
7.416666667	AttenGpKa training set	-1	-2	Cc1ccc(P(=O)([O-])O)cc1	Cc1ccc(P(=O)([O-])[O-])cc1	mol28914	Cc1ccc(P(=O)(O)O)cc1