pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	OCHEM	1	0	CCCCCCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O	mol2050	CCCCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O