pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.42	IUPAC digitized pKa	0	-1	Cc1n[nH]c(=O)[nH]c1=O	Cc1n[nH]c(=O)[n-]c1=O,Cc1n[n-]c(=O)[nH]c1=O	mol9159	Cc1n[nH]c(=O)[nH]c1=O
7.48	IUPAC digitized pKa	0	-1	Cc1n[nH]c(=O)[nH]c1=O	Cc1n[nH]c(=O)[n-]c1=O,Cc1n[n-]c(=O)[nH]c1=O	mol9159	Cc1n[nH]c(=O)[nH]c1=O
7.6	IUPAC digitized pKa	0	-1	Cc1n[nH]c(=O)[nH]c1=O	Cc1n[nH]c(=O)[n-]c1=O,Cc1n[n-]c(=O)[nH]c1=O	mol9159	Cc1n[nH]c(=O)[nH]c1=O
7.59999990463257	QSARToolbox	0	-1	Cc1n[nH]c(=O)[nH]c1=O	Cc1n[nH]c(=O)[n-]c1=O,Cc1n[n-]c(=O)[nH]c1=O	mol9159	Cc1n[nH]c(=O)[nH]c1=O
13.4	IUPAC digitized pKa	-1	-2	Cc1n[nH]c(=O)[n-]c1=O,Cc1n[n-]c(=O)[nH]c1=O	Cc1n[n-]c(=O)[n-]c1=O	mol9159	Cc1n[nH]c(=O)[nH]c1=O