pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19999980926514	QSARToolbox	0	-1	[NH3+]c1ccc(P(=O)([O-])O)cc1,Nc1ccc(P(=O)(O)O)cc1	Nc1ccc(P(=O)([O-])O)cc1	mol28918	Nc1ccc(P(=O)(O)O)cc1
2.34999990463257	QSARToolbox	1	0	Nc1ccc(P(O)(O)=[OH+])cc1,[NH3+]c1ccc(P(=O)(O)O)cc1	[NH3+]c1ccc(P(=O)([O-])O)cc1,Nc1ccc(P(=O)(O)O)cc1	mol28918	Nc1ccc(P(=O)(O)O)cc1
7.53	OCHEM	-1	-2	Nc1ccc(P(=O)([O-])O)cc1	Nc1ccc(P(=O)([O-])[O-])cc1	mol28918	Nc1ccc(P(=O)(O)O)cc1
7.65000009536743	QSARToolbox	-1	-2	Nc1ccc(P(=O)([O-])O)cc1	Nc1ccc(P(=O)([O-])[O-])cc1	mol28918	Nc1ccc(P(=O)(O)O)cc1
7.53000020980835	QSARToolbox	-1	-2	Nc1ccc(P(=O)([O-])O)cc1	Nc1ccc(P(=O)([O-])[O-])cc1	mol28918	Nc1ccc(P(=O)(O)O)cc1
7.685	AttenGpKa training set	-1	-2	Nc1ccc(P(=O)([O-])O)cc1	Nc1ccc(P(=O)([O-])[O-])cc1	mol28918	Nc1ccc(P(=O)(O)O)cc1