pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	OCHEM	0	-1	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1O	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1[O-]	mol30639	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1O
4.42000007629395	QSARToolbox	0	-1	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1O	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1[O-]	mol30639	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1O
9.14000034332275	QSARToolbox	-1	-2	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1[O-]	O=[N+]([O-])c1cc([O-])cc([N+](=O)[O-])c1[O-]	mol30639	O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1O