pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.07	Datawarrior	1	0	CC[C@@H](C)C(=O)CC[NH+]1CCOCC1	CC[C@@H](C)C(=O)CCN1CCOCC1	mol13261	CCC(C)C(=O)CCN1CCOCC1
7.0700002	OCHEM	1	0	CC[C@@H](C)C(=O)CC[NH+]1CCOCC1	CC[C@@H](C)C(=O)CCN1CCOCC1	mol13261	CCC(C)C(=O)CCN1CCOCC1