pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39	OCHEM	1	0	C[C@H]1CCC[C@@H](O)[C@@H]1[NH3+]	C[C@H]1CCC[C@@H](O)[C@@H]1N	mol956	C[C@H]1CCC[C@@H](O)[C@@H]1N