pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.57	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cc(O)ccc1O	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	mol9657	O=[N+]([O-])c1cc(O)ccc1O
7.47	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cc(O)ccc1O	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	mol9657	O=[N+]([O-])c1cc(O)ccc1O
7.37	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cc(O)ccc1O	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	mol9657	O=[N+]([O-])c1cc(O)ccc1O
7.42	Datawarrior	0	-1	O=[N+]([O-])c1cc(O)ccc1O	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	mol9657	O=[N+]([O-])c1cc(O)ccc1O
7.4200001	OCHEM	0	-1	O=[N+]([O-])c1cc(O)ccc1O	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	mol9657	O=[N+]([O-])c1cc(O)ccc1O
7.63	OCHEM	0	-1	O=[N+]([O-])c1cc(O)ccc1O	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	mol9657	O=[N+]([O-])c1cc(O)ccc1O
10.11	IUPAC digitized pKa	-1	-2	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	O=[N+]([O-])c1cc([O-])ccc1[O-]	mol9657	O=[N+]([O-])c1cc(O)ccc1O
10.0	OCHEM	-1	-2	O=[N+]([O-])c1cc(O)ccc1[O-],O=[N+]([O-])c1cc([O-])ccc1O	O=[N+]([O-])c1cc([O-])ccc1[O-]	mol9657	O=[N+]([O-])c1cc(O)ccc1O