pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.64	Datawarrior	1	0	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)nc2c1	mol15299	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)nc2c1
2.6400001	OCHEM	1	0	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)nc2c1	mol15299	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)nc2c1
2.64000010490417	QSARToolbox	1	0	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)nc2c1	mol15299	O=[N+]([O-])c1ccc2[nH]c(-c3ccco3)nc2c1