pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.72	IUPAC digitized pKa	0	-1	Oc1ccc(Br)c2ccccc12	[O-]c1ccc(Br)c2ccccc12	mol11278	Oc1ccc(Br)c2ccccc12
8.72000026702881	QSARToolbox	0	-1	Oc1ccc(Br)c2ccccc12	[O-]c1ccc(Br)c2ccccc12	mol11278	Oc1ccc(Br)c2ccccc12