pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.26	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O	O=[N+]([O-])c1c([O-])c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O	mol9613	O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O
4.16	IUPAC digitized pKa	-1	-2	O=[N+]([O-])c1c([O-])c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O	O=[N+]([O-])c1c([O-])c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1[O-]	mol9613	O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O
7.66	IUPAC digitized pKa	-2	-3	O=[N+]([O-])c1c([O-])c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1[O-]	O=[N+]([O-])c1c([O-])c([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-]	mol9613	O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O