pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Br)cc(Br)cc1Br	[O-]c1c(Br)cc(Br)cc1Br	mol21725	Oc1c(Br)cc(Br)cc1Br
6.08	OCHEM	0	-1	Oc1c(Br)cc(Br)cc1Br	[O-]c1c(Br)cc(Br)cc1Br	mol21725	Oc1c(Br)cc(Br)cc1Br
6.80000019073486	QSARToolbox	0	-1	Oc1c(Br)cc(Br)cc1Br	[O-]c1c(Br)cc(Br)cc1Br	mol21725	Oc1c(Br)cc(Br)cc1Br
6.0	QSARToolbox	0	-1	Oc1c(Br)cc(Br)cc1Br	[O-]c1c(Br)cc(Br)cc1Br	mol21725	Oc1c(Br)cc(Br)cc1Br
6.5	QSARToolbox	0	-1	Oc1c(Br)cc(Br)cc1Br	[O-]c1c(Br)cc(Br)cc1Br	mol21725	Oc1c(Br)cc(Br)cc1Br
6.135	AttenGpKa training set	0	-1	Oc1c(Br)cc(Br)cc1Br	[O-]c1c(Br)cc(Br)cc1Br	mol21725	Oc1c(Br)cc(Br)cc1Br