pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	OCHEM	1	0	CC[C@@H](C)[NH+](C[C@H](C)O)C[C@H](C)O	CC[C@@H](C)N(C[C@H](C)O)C[C@H](C)O	mol33165	CCC(C)N(CC(C)O)CC(C)O