pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCO[C@]1(c2ccccc2)C[NH+](C)CCO1	CCCO[C@]1(c2ccccc2)CN(C)CCO1	mol21834	CCCOC1(c2ccccc2)CN(C)CCO1