pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.06	IUPAC digitized pKa	1	0	Nc1ncc(-c2ccc(Br)cc2)c[nH+]1,[NH3+]c1ncc(-c2ccc(Br)cc2)cn1	Nc1ncc(-c2ccc(Br)cc2)cn1	mol1608	Nc1ncc(-c2ccc(Br)cc2)cn1
3.59999990463257	QSARToolbox	1	0	Nc1ncc(-c2ccc(Br)cc2)c[nH+]1,[NH3+]c1ncc(-c2ccc(Br)cc2)cn1	Nc1ncc(-c2ccc(Br)cc2)cn1	mol1608	Nc1ncc(-c2ccc(Br)cc2)cn1