pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	Datawarrior	1	0	CC[NH+](CC)C[C@@H]1CO1	CCN(CC)C[C@@H]1CO1	mol13656	CCN(CC)CC1CO1
8.5500002	OCHEM	1	0	CC[NH+](CC)C[C@@H]1CO1	CCN(CC)C[C@@H]1CO1	mol13656	CCN(CC)CC1CO1