pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.11	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc(Br)c([O-])c([N+](=O)[O-])c1	mol9851	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1
2.35	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc(Br)c([O-])c([N+](=O)[O-])c1	mol9851	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1
2.23	OCHEM	0	-1	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc(Br)c([O-])c([N+](=O)[O-])c1	mol9851	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1
2.10999989509583	QSARToolbox	0	-1	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc(Br)c([O-])c([N+](=O)[O-])c1	mol9851	O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1