pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.33	IUPAC digitized pKa	0	-1	[NH3+]C[C@H](O)C(=O)[O-]	NC[C@H](O)C(=O)[O-]	mol5411	NCC(O)C(=O)O
9.27	Datawarrior	0	-1	[NH3+]C[C@H](O)C(=O)[O-]	NC[C@H](O)C(=O)[O-]	mol5411	NCC(O)C(=O)O
9.2700005	OCHEM	0	-1	[NH3+]C[C@H](O)C(=O)[O-]	NC[C@H](O)C(=O)[O-]	mol5411	NCC(O)C(=O)O
2.72	IUPAC digitized pKa	1	0	[NH3+]C[C@H](O)C(=O)O	[NH3+]C[C@H](O)C(=O)[O-]	mol5411	NCC(O)C(=O)O
2.78	Datawarrior	1	0	[NH3+]C[C@H](O)C(=O)O	[NH3+]C[C@H](O)C(=O)[O-]	mol5411	NCC(O)C(=O)O
2.77999997138977	QSARToolbox	1	0	[NH3+]C[C@H](O)C(=O)O	[NH3+]C[C@H](O)C(=O)[O-]	mol5411	NCC(O)C(=O)O