pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	IUPAC digitized pKa	1	0	Cn1c(=[OH+])[nH]c(=O)c2[nH]c(=O)c(=O)[nH]c21,Cn1c(=O)[nH]c(=O)c2[nH]c(=[OH+])c(=O)[nH]c21	Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(=O)[nH]c21	mol10121	Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(=O)[nH]c21
9.6	IUPAC digitized pKa	-1	-2	Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(=O)[n-]c21,Cn1c(=O)[nH]c(=O)c2[n-]c(=O)c(=O)[nH]c21	Cn1c(=O)[n-]c(=O)c2[n-]c(=O)c(=O)[nH]c21,Cn1c(=O)[n-]c(=O)c2[nH]c(=O)c(=O)[n-]c21,Cn1c(=O)[nH]c(=O)c2[n-]c(=O)c(=O)[n-]c21	mol10121	Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(=O)[nH]c21