pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	Datawarrior	0	-1	O=C(O)c1cnc(Br)s1	O=C([O-])c1cnc(Br)s1	mol13644	O=C(O)c1cnc(Br)s1
2.96000003814697	QSARToolbox	0	-1	O=C(O)c1cnc(Br)s1	O=C([O-])c1cnc(Br)s1	mol13644	O=C(O)c1cnc(Br)s1