pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.4	IUPAC digitized pKa	0	-1	ON=C1CCCCC1=NO	[O-]N=C1CCCCC1=NO	mol9783	ON=C1CCCCC1=NO
11.92	IUPAC digitized pKa	0	-1	ON=C1CCCCC1=NO	[O-]N=C1CCCCC1=NO	mol9783	ON=C1CCCCC1=NO
12.16	IUPAC digitized pKa	0	-1	ON=C1CCCCC1=NO	[O-]N=C1CCCCC1=NO	mol9783	ON=C1CCCCC1=NO
10.53	OCHEM	0	-1	ON=C1CCCCC1=NO	[O-]N=C1CCCCC1=NO	mol9783	ON=C1CCCCC1=NO
10.6000003814697	QSARToolbox	0	-1	ON=C1CCCCC1=NO	[O-]N=C1CCCCC1=NO	mol9783	ON=C1CCCCC1=NO
10.5100002288818	QSARToolbox	0	-1	ON=C1CCCCC1=NO	[O-]N=C1CCCCC1=NO	mol9783	ON=C1CCCCC1=NO
10.6	IUPAC digitized pKa	-1	-2	[O-]N=C1CCCCC1=NO	[O-]N=C1CCCCC1=N[O-]	mol9783	ON=C1CCCCC1=NO
10.68	IUPAC digitized pKa	-1	-2	[O-]N=C1CCCCC1=NO	[O-]N=C1CCCCC1=N[O-]	mol9783	ON=C1CCCCC1=NO
10.7	IUPAC digitized pKa	-1	-2	[O-]N=C1CCCCC1=NO	[O-]N=C1CCCCC1=N[O-]	mol9783	ON=C1CCCCC1=NO
10.1	IUPAC digitized pKa	-1	-2	[O-]N=C1CCCCC1=NO	[O-]N=C1CCCCC1=N[O-]	mol9783	ON=C1CCCCC1=NO