pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	IUPAC digitized pKa	1	0	CCCC[C@H]([NH3+])c1ccc(Cl)cc1	CCCC[C@H](N)c1ccc(Cl)cc1	mol6116	CCCCC(N)c1ccc(Cl)cc1