pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	AttenGpKa training set	1	0	CCC(=O)c1ccc([NH3+])cc1	CCC(=O)c1ccc(N)cc1	mol23729	CCC(=O)c1ccc(N)cc1