pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	AttenGpKa training set	1	0	C[N+](C)(C)CC(=O)c1ccc(O)cc1	C[N+](C)(C)CC(=O)c1ccc([O-])cc1	mol30746	C[N+](C)(C)CC(=O)c1ccc(O)cc1