pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	IUPAC digitized pKa	0	-1	[NH3+]CC[NH+](CC(=O)[O-])CC(=O)[O-]	NCC[NH+](CC(=O)[O-])CC(=O)[O-],[NH3+]CCN(CC(=O)[O-])CC(=O)[O-]	mol9815	NCCN(CC(=O)O)CC(=O)O
5.57999992370606	QSARToolbox	0	-1	[NH3+]CC[NH+](CC(=O)[O-])CC(=O)[O-]	NCC[NH+](CC(=O)[O-])CC(=O)[O-],[NH3+]CCN(CC(=O)[O-])CC(=O)[O-]	mol9815	NCCN(CC(=O)O)CC(=O)O
11.05	IUPAC digitized pKa	-1	-2	NCC[NH+](CC(=O)[O-])CC(=O)[O-],[NH3+]CCN(CC(=O)[O-])CC(=O)[O-]	NCCN(CC(=O)[O-])CC(=O)[O-]	mol9815	NCCN(CC(=O)O)CC(=O)O
11.0500001907349	QSARToolbox	-1	-2	NCC[NH+](CC(=O)[O-])CC(=O)[O-],[NH3+]CCN(CC(=O)[O-])CC(=O)[O-]	NCCN(CC(=O)[O-])CC(=O)[O-]	mol9815	NCCN(CC(=O)O)CC(=O)O