pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.02	IUPAC digitized pKa	1	0	N#CC(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1	mol3569	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
8.07	Datawarrior	1	0	N#CC(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1	mol3569	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
8.0699997	OCHEM	1	0	N#CC(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1	mol3569	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
8.06999969482422	QSARToolbox	1	0	N#CC(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1	mol3569	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
8.19999980926514	QSARToolbox	1	0	N#CC(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1	mol3569	N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1