pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.17	IUPAC digitized pKa	1	0	CCC(C(=O)CCC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CCC(C(=O)CCCN1CCOCC1)(c1ccccc1)c1ccccc1	mol3948	CCC(C(=O)CCCN1CCOCC1)(c1ccccc1)c1ccccc1