pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.59	Datawarrior	0	-1	O=[N+]([O-])c1n[nH]c(-n2cnc(Cl)n2)n1	O=[N+]([O-])c1n[n-]c(-n2cnc(Cl)n2)n1	mol13472	O=[N+]([O-])c1n[nH]c(-n2cnc(Cl)n2)n1
1.5900000333786	QSARToolbox	0	-1	O=[N+]([O-])c1n[nH]c(-n2cnc(Cl)n2)n1	O=[N+]([O-])c1n[n-]c(-n2cnc(Cl)n2)n1	mol13472	O=[N+]([O-])c1n[nH]c(-n2cnc(Cl)n2)n1