pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.20000004768372	QSARToolbox	0	-1	COCC[NH+](CC(=O)[O-])CC(=O)O	COCC[NH+](CC(=O)[O-])CC(=O)[O-]	mol29405	COCCN(CC(=O)O)CC(=O)O
2.2	AttenGpKa training set	0	-1	COCC[NH+](CC(=O)[O-])CC(=O)O	COCC[NH+](CC(=O)[O-])CC(=O)[O-]	mol29405	COCCN(CC(=O)O)CC(=O)O
8.96	AttenGpKa training set	-1	-2	COCC[NH+](CC(=O)[O-])CC(=O)[O-]	COCCN(CC(=O)[O-])CC(=O)[O-]	mol29405	COCCN(CC(=O)O)CC(=O)O