pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27	Organic Oxygen Acids and Nitrogen Bases	1	0	CC1(C)CCC(c2ccccc2)([NH+]2CCCCC2)CC1	CC1(C)CCC(c2ccccc2)(N2CCCCC2)CC1	mol21825	CC1(C)CCC(c2ccccc2)(N2CCCCC2)CC1