pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	IUPAC digitized pKa	0	-1	COc1ccc(O)cc1Br	COc1ccc([O-])cc1Br	mol10148	COc1ccc(O)cc1Br
9.16	IUPAC digitized pKa	0	-1	COc1ccc(O)cc1Br	COc1ccc([O-])cc1Br	mol10148	COc1ccc(O)cc1Br
9.02	IUPAC digitized pKa	0	-1	COc1ccc(O)cc1Br	COc1ccc([O-])cc1Br	mol10148	COc1ccc(O)cc1Br
9.09	Datawarrior	0	-1	COc1ccc(O)cc1Br	COc1ccc([O-])cc1Br	mol10148	COc1ccc(O)cc1Br
9.0900002	OCHEM	0	-1	COc1ccc(O)cc1Br	COc1ccc([O-])cc1Br	mol10148	COc1ccc(O)cc1Br
9.15999984741211	QSARToolbox	0	-1	COc1ccc(O)cc1Br	COc1ccc([O-])cc1Br	mol10148	COc1ccc(O)cc1Br