pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.23	Hunt	1	0	CC(=O)[C@H](C[NH+]1CCOCC1)c1ccccc1	CC(=O)[C@H](CN1CCOCC1)c1ccccc1	mol1321	CC(=O)[C@H](CN1CCOCC1)c1ccccc1