pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.75	AttenGpKa training set	0	-1	O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I	O=C1OC2(c3ccccc31)c1cc(I)c([O-])c(I)c1Oc1c2cc(I)c(O)c1I	mol31059	O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I
3.82	AttenGpKa training set	0	-1	O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I	O=C1OC2(c3ccccc31)c1cc(I)c([O-])c(I)c1Oc1c2cc(I)c(O)c1I	mol31059	O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I