pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	AttenGpKa training set	0	-1	O[C@]1(C(F)(F)F)[C@@H]2OC3O[C@H]1[C@](O)(C(F)(F)F)[C@@H](O3)[C@]2(O)C(F)(F)F	[O-][C@@]1(C(F)(F)F)[C@H]2OC3O[C@@H]([C@](O)(C(F)(F)F)[C@H]1O3)[C@@]2(O)C(F)(F)F	mol31308	OC1(C(F)(F)F)C2OC3OC1C(O)(C(F)(F)F)C(O3)C2(O)C(F)(F)F