pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	AttenGpKa training set	1	0	CC[N+](CC)(CC)c1ccc(C(=O)O)cc1	CC[N+](CC)(CC)c1ccc(C(=O)[O-])cc1	mol23028	CC[N+](CC)(CC)c1ccc(C(=O)O)cc1