pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.52	IUPAC digitized pKa	0	-1	Sc1ncc(Br)cn1	[S-]c1ncc(Br)cn1	mol7167	Sc1ncc(Br)cn1
5.22	OCHEM	0	-1	Sc1ncc(Br)cn1	[S-]c1ncc(Br)cn1	mol7167	Sc1ncc(Br)cn1
5.51999998092651	QSARToolbox	0	-1	Sc1ncc(Br)cn1	[S-]c1ncc(Br)cn1	mol7167	Sc1ncc(Br)cn1
-0.43	IUPAC digitized pKa	1	0	Sc1ncc(Br)c[nH+]1	Sc1ncc(Br)cn1	mol7167	Sc1ncc(Br)cn1
-0.430000007152557	QSARToolbox	1	0	Sc1ncc(Br)c[nH+]1	Sc1ncc(Br)cn1	mol7167	Sc1ncc(Br)cn1