pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1c(Br)c(Br)c(Br)c(Br)c1Br	[O-]c1c(Br)c(Br)c(Br)c(Br)c1Br	mol707	Oc1c(Br)c(Br)c(Br)c(Br)c1Br
4.4	OCHEM	0	-1	Oc1c(Br)c(Br)c(Br)c(Br)c1Br	[O-]c1c(Br)c(Br)c(Br)c(Br)c1Br	mol707	Oc1c(Br)c(Br)c(Br)c(Br)c1Br
4.56	AttenGpKa training set	0	-1	Oc1c(Br)c(Br)c(Br)c(Br)c1Br	[O-]c1c(Br)c(Br)c(Br)c(Br)c1Br	mol707	Oc1c(Br)c(Br)c(Br)c(Br)c1Br