pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.61	Datawarrior	1	0	[NH3+]c1ncc(Br)s1,Nc1[nH+]cc(Br)s1	Nc1ncc(Br)s1	mol16026	Nc1ncc(Br)s1
3.6099999	OCHEM	1	0	[NH3+]c1ncc(Br)s1,Nc1[nH+]cc(Br)s1	Nc1ncc(Br)s1	mol16026	Nc1ncc(Br)s1
3.60999989509583	QSARToolbox	1	0	[NH3+]c1ncc(Br)s1,Nc1[nH+]cc(Br)s1	Nc1ncc(Br)s1	mol16026	Nc1ncc(Br)s1