pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	OCHEM	1	0	CC[NH+](CC)[C@H](C)C(=O)c1ccccc1	CCN(CC)[C@H](C)C(=O)c1ccccc1	mol491	CCN(CC)[C@H](C)C(=O)c1ccccc1