pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	AttenGpKa training set	0	-1	O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2ccccc21	O=C1OC2(c3cc(F)c([O-])cc3Oc3cc(O)c(F)cc32)c2ccccc21	mol30969	O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2ccccc21
4.945	AttenGpKa training set	0	-1	O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2ccccc21	O=C1OC2(c3cc(F)c([O-])cc3Oc3cc(O)c(F)cc32)c2ccccc21	mol30969	O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2ccccc21