pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.01	Datawarrior	0	-1	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2	O=[N+]([O-])c1ccc2c(c1)Cc1cc([O-])ccc1-2	mol15292	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2
9.0100002	OCHEM	0	-1	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2	O=[N+]([O-])c1ccc2c(c1)Cc1cc([O-])ccc1-2	mol15292	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2
8.9399995803833	QSARToolbox	0	-1	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2	O=[N+]([O-])c1ccc2c(c1)Cc1cc([O-])ccc1-2	mol15292	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2
9.07999992370606	QSARToolbox	0	-1	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2	O=[N+]([O-])c1ccc2c(c1)Cc1cc([O-])ccc1-2	mol15292	O=[N+]([O-])c1ccc2c(c1)Cc1cc(O)ccc1-2