pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.995	AttenGpKa training set	0	-1	O=C1OC2(c3ccccc31)c1cc(F)c(O)c(F)c1Oc1c2cc(F)c(O)c1F	O=C1OC2(c3ccccc31)c1cc(F)c([O-])c(F)c1Oc1c2cc(F)c(O)c1F	mol30994	O=C1OC2(c3ccccc31)c1cc(F)c(O)c(F)c1Oc1c2cc(F)c(O)c1F
3.61	AttenGpKa training set	0	-1	O=C1OC2(c3ccccc31)c1cc(F)c(O)c(F)c1Oc1c2cc(F)c(O)c1F	O=C1OC2(c3ccccc31)c1cc(F)c([O-])c(F)c1Oc1c2cc(F)c(O)c1F	mol30994	O=C1OC2(c3ccccc31)c1cc(F)c(O)c(F)c1Oc1c2cc(F)c(O)c1F