pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	IUPAC digitized pKa	1	0	C=C1CC[NH+]2CC[C@@H](O)[C@@H]12	C=C1CCN2CC[C@@H](O)[C@@H]12	mol5155	C=C1CCN2CC[C@@H](O)C12