pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.61999988555908	QSARToolbox	-1	-2	O=C(O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-],O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	O=C([O-])C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	mol37220	O=C(O)CC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O