pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	AttenGpKa training set	0	-1	O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br	O=C1OC2(c3ccccc31)c1ccc([O-])c(Br)c1Oc1c2ccc(O)c1Br	mol31028	O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br
4.96	AttenGpKa training set	0	-1	O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br	O=C1OC2(c3ccccc31)c1ccc([O-])c(Br)c1Oc1c2ccc(O)c1Br	mol31028	O=C1OC2(c3ccccc31)c1ccc(O)c(Br)c1Oc1c2ccc(O)c1Br