pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.77	IUPAC digitized pKa	1	0	COc1ncc(Br)c[nH+]1	COc1ncc(Br)cn1	mol7169	COc1ncc(Br)cn1
-0.769999980926514	QSARToolbox	1	0	COc1ncc(Br)c[nH+]1	COc1ncc(Br)cn1	mol7169	COc1ncc(Br)cn1