pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	IUPAC digitized pKa	1	0	C[N+](C)(C)c1ccc(CCC(=O)O)cc1	C[N+](C)(C)c1ccc(CCC(=O)[O-])cc1	mol2024	C[N+](C)(C)c1ccc(CCC(=O)O)cc1