pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.68	OCHEM	0	-1	O=C1C=C(O)[C@@H]([N+](=O)[O-])O1	O=C1C=C([O-])[C@@H]([N+](=O)[O-])O1	mol33095	O=C1C=C(O)C([N+](=O)[O-])O1
1.67999994754791	QSARToolbox	0	-1	O=C1C=C(O)[C@@H]([N+](=O)[O-])O1	O=C1C=C([O-])[C@@H]([N+](=O)[O-])O1	mol33095	O=C1C=C(O)C([N+](=O)[O-])O1