pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	AttenGpKa training set	0	-1	OC(c1ccccc1)(C(F)(F)F)C(F)(F)F	[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F	mol31253	OC(c1ccccc1)(C(F)(F)F)C(F)(F)F