pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.81	IUPAC digitized pKa	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1
7.78	IUPAC digitized pKa	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1
7.68	IUPAC digitized pKa	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1
7.43	IUPAC digitized pKa	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1
7.3	IUPAC digitized pKa	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1
7.11	IUPAC digitized pKa	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1
7.2	IUPAC digitized pKa	1	0	OCC[NH+](CCO)Cc1ccccc1	OCCN(CCO)Cc1ccccc1	mol1540	OCCN(CCO)Cc1ccccc1