pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.24	Datawarrior	1	0	CCCCOc1ccc(OCCC[NH+]2CCOCC2)cc1	CCCCOc1ccc(OCCCN2CCOCC2)cc1	mol15402	CCCCOc1ccc(OCCCN2CCOCC2)cc1
6.2399998	OCHEM	1	0	CCCCOc1ccc(OCCC[NH+]2CCOCC2)cc1	CCCCOc1ccc(OCCCN2CCOCC2)cc1	mol15402	CCCCOc1ccc(OCCCN2CCOCC2)cc1
6.23999977111816	QSARToolbox	1	0	CCCCOc1ccc(OCCC[NH+]2CCOCC2)cc1	CCCCOc1ccc(OCCCN2CCOCC2)cc1	mol15402	CCCCOc1ccc(OCCCN2CCOCC2)cc1