pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.66	AttenGpKa training set	1	0	[NH3+][C@H]1C[C@](F)(c2ccc(C(F)(F)F)cc2)C1	N[C@H]1C[C@](F)(c2ccc(C(F)(F)F)cc2)C1	mol24651	N[C@H]1C[C@](F)(c2ccc(C(F)(F)F)cc2)C1