pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	OCHEM	1	0	CC[C@H](O)C[NH+](CC)C[C@@H](O)CC	CC[C@H](O)CN(CC)C[C@@H](O)CC	mol2486	CC[C@H](O)CN(CC)C[C@@H](O)CC