pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	IUPAC digitized pKa	0	-1	[NH3+][C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-],[NH3+][C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-]	mol11036	N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
7.5	IUPAC digitized pKa	0	-1	[NH3+][C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-],[NH3+][C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-]	mol11036	N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O