pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.66	Datawarrior	1	0	C[NH+](C)c1ncc(Br)s1,CN(C)c1[nH+]cc(Br)s1	CN(C)c1ncc(Br)s1	mol13598	CN(C)c1ncc(Br)s1
3.6600001	OCHEM	1	0	C[NH+](C)c1ncc(Br)s1,CN(C)c1[nH+]cc(Br)s1	CN(C)c1ncc(Br)s1	mol13598	CN(C)c1ncc(Br)s1
3.66000008583069	QSARToolbox	1	0	C[NH+](C)c1ncc(Br)s1,CN(C)c1[nH+]cc(Br)s1	CN(C)c1ncc(Br)s1	mol13598	CN(C)c1ncc(Br)s1