pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	0	-1	O[C@@H]1[C@H]2O[C@@H]3O[C@H]([C@@]2(O)C(F)(F)F)[C@@](O)(C(F)(F)F)[C@H]1O3	[O-][C@]1(C(F)(F)F)[C@@H]2O[C@@H]3O[C@H]1[C@@](O)(C(F)(F)F)[C@@H](O3)[C@@H]2O	mol31297	OC1C2OC3OC1C(O)(C(F)(F)F)C(O3)C2(O)C(F)(F)F