pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.22000002861023	QSARToolbox	1	0	CCOP(=O)(OCC)c1ccc([NH3+])cc1	CCOP(=O)(OCC)c1ccc(N)cc1	mol23973	CCOP(=O)(OCC)c1ccc(N)cc1
2.22	AttenGpKa training set	1	0	CCOP(=O)(OCC)c1ccc([NH3+])cc1	CCOP(=O)(OCC)c1ccc(N)cc1	mol23973	CCOP(=O)(OCC)c1ccc(N)cc1