pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.70000004768372	QSARToolbox	1	0	[NH3+]CC(=O)N[C@H](C(=O)O)[C@H](CC(=O)O)C(=O)O,NCC(=O)N[C@H](C(=O)O)[C@H](CC(=O)O)C(O)=[OH+],NCC(=O)N[C@H](C(O)=[OH+])[C@H](CC(=O)O)C(=O)O	[NH3+]CC(=O)N[C@H](C(=O)[O-])[C@H](CC(=O)O)C(=O)O,[NH3+]CC(=O)N[C@H](C(=O)O)[C@H](CC(=O)[O-])C(=O)O,[NH3+]CC(=O)N[C@H](C(=O)O)[C@H](CC(=O)O)C(=O)[O-]	mol35234	NCC(=O)NC(C(=O)O)C(CC(=O)O)C(=O)O