pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36	IUPAC digitized pKa	0	-1	Cn1c(=O)c(=O)[nH]c2c(=O)[nH]c(=O)[nH]c21	Cn1c(=O)c(=O)[nH]c2c(=O)[n-]c(=O)[nH]c21,Cn1c(=O)c(=O)[nH]c2c(=O)[nH]c(=O)[n-]c21,Cn1c(=O)c(=O)[n-]c2c(=O)[nH]c(=O)[nH]c21	mol10123	Cn1c(=O)c(=O)[nH]c2c(=O)[nH]c(=O)[nH]c21
9.65	IUPAC digitized pKa	-2	-3	Cn1c(=O)c(=O)[n-]c2c(=O)[n-]c(=O)[nH]c21,Cn1c(=O)c(=O)[n-]c2c(=O)[nH]c(=O)[n-]c21,Cn1c(=O)c(=O)[nH]c2c(=O)[n-]c(=O)[n-]c21	Cn1c(=O)c(=O)[n-]c2c(=O)[n-]c(=O)[n-]c21	mol10123	Cn1c(=O)c(=O)[nH]c2c(=O)[nH]c(=O)[nH]c21