pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	IUPAC digitized pKa	0	-1	[NH3+]CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],[NH3+]CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	mol8526	NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O