pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	IUPAC digitized pKa	1	0	O=[N+]([O-])c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	mol6668	O=[N+]([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
3.90000009536743	QSARToolbox	1	0	O=[N+]([O-])c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	mol6668	O=[N+]([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1