pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	OCHEM	1	0	CCCCC[C@H](O)C(C)(C)[NH3+]	CCCCC[C@H](O)C(C)(C)N	mol945	CCCCC[C@H](O)C(C)(C)N