pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	IUPAC digitized pKa	1	0	CCCCOc1ccc(C(=O)OCC[NH+]2CCCCC2)cc1	CCCCOc1ccc(C(=O)OCCN2CCCCC2)cc1	mol3438	CCCCOc1ccc(C(=O)OCCN2CCCCC2)cc1
6.73999977111816	QSARToolbox	1	0	CCCCOc1ccc(C(=O)OCC[NH+]2CCCCC2)cc1	CCCCOc1ccc(C(=O)OCCN2CCCCC2)cc1	mol3438	CCCCOc1ccc(C(=O)OCCN2CCCCC2)cc1