pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	IUPAC digitized pKa	1	0	CCCCOc1ccc([C@H](O)[NH2+][C@@H](C)CC)cc1OC	CCCCOc1ccc([C@H](O)N[C@@H](C)CC)cc1OC	mol6131	CCCCOc1ccc(C(O)NC(C)CC)cc1OC