pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	OCHEM	1	0	O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2	O[C@@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2	mol32914	OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2