pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	AttenGpKa training set	-1	-2	[O-][C@](c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)[C@](O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F	[O-][C@](c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)[C@]([O-])(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F	mol31320	OC(c1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)C(O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F