pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Datawarrior	0	-1	O=[N+]([O-])c1n[nH]c(Oc2ccccc2)n1	O=[N+]([O-])c1n[n-]c(Oc2ccccc2)n1	mol15701	O=[N+]([O-])c1n[nH]c(Oc2ccccc2)n1
4.1999998	OCHEM	0	-1	O=[N+]([O-])c1n[nH]c(Oc2ccccc2)n1	O=[N+]([O-])c1n[n-]c(Oc2ccccc2)n1	mol15701	O=[N+]([O-])c1n[nH]c(Oc2ccccc2)n1
4.19999980926514	QSARToolbox	0	-1	O=[N+]([O-])c1n[nH]c(Oc2ccccc2)n1	O=[N+]([O-])c1n[n-]c(Oc2ccccc2)n1	mol15701	O=[N+]([O-])c1n[nH]c(Oc2ccccc2)n1