pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.3	IUPAC digitized pKa	1	0	CNc1cc(C(=O)O)[nH+]c(C(=O)O)c1,C[NH2+]c1cc(C(=O)O)nc(C(=O)O)c1	C[NH2+]c1cc(C(=O)[O-])nc(C(=O)O)c1,CNc1cc(C(=O)[O-])[nH+]c(C(=O)O)c1	mol6425	CNc1cc(C(=O)O)nc(C(=O)O)c1
9.68	IUPAC digitized pKa	-1	-2	CNc1cc(C(=O)[O-])[nH+]c(C(=O)[O-])c1,C[NH2+]c1cc(C(=O)[O-])nc(C(=O)[O-])c1	CNc1cc(C(=O)[O-])nc(C(=O)[O-])c1	mol6425	CNc1cc(C(=O)O)nc(C(=O)O)c1