pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.92	AttenGpKa training set	0	-1	O=C(O)c1c(Br)c(O)c(O)c(O)c1Br	O=C([O-])c1c(Br)c(O)c(O)c(O)c1Br	mol23239	O=C(O)c1c(Br)c(O)c(O)c(O)c1Br