pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.5	AttenGpKa training set	-1	-2	[O-][C@]1(C(F)(F)F)[C@@H]2O[C@H]3O[C@@H]([C@H]2O)[C@@H](O)[C@@H]1O3	[O-][C@@H]1[C@@H]2O[C@@H]3O[C@H]1[C@](O)(C(F)(F)F)[C@@H](O3)[C@@H]2[O-],[O-][C@@H]1[C@H]2O[C@@H]3O[C@H]([C@@H]2O)[C@]([O-])(C(F)(F)F)[C@H]1O3	mol31265	OC1C2OC3OC1C(O)(C(F)(F)F)C(O3)C2O