pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	IUPAC digitized pKa	0	-1	Cn1c(=O)[nH]c2[nH]c(=O)c(=O)[nH]c2c1=O	Cn1c(=O)[n-]c2[nH]c(=O)c(=O)[nH]c2c1=O,Cn1c(=O)[nH]c2[nH]c(=O)c(=O)[n-]c2c1=O,Cn1c(=O)[nH]c2[n-]c(=O)c(=O)[nH]c2c1=O	mol10122	Cn1c(=O)[nH]c2[nH]c(=O)c(=O)[nH]c2c1=O
9.57	IUPAC digitized pKa	-2	-3	Cn1c(=O)[n-]c2[nH]c(=O)c(=O)[n-]c2c1=O,Cn1c(=O)[nH]c2[n-]c(=O)c(=O)[n-]c2c1=O,Cn1c(=O)[n-]c2[n-]c(=O)c(=O)[nH]c2c1=O	Cn1c(=O)[n-]c2[n-]c(=O)c(=O)[n-]c2c1=O	mol10122	Cn1c(=O)[nH]c2[nH]c(=O)c(=O)[nH]c2c1=O