pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.04	IUPAC digitized pKa	1	0	N#CC(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1324	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.09	Datawarrior	1	0	N#CC(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1324	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.0900002	OCHEM	1	0	N#CC(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1324	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.09000015258789	QSARToolbox	1	0	N#CC(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1324	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1
6.40000009536743	QSARToolbox	1	0	N#CC(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1324	N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1