pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.46	IUPAC digitized pKa	1	0	CNc1ncnc2[nH+]cc(O)nc12,CNc1[nH+]cnc2ncc(O)nc12,C[NH2+]c1ncnc2ncc(O)nc12,CNc1nc[nH+]c2ncc(O)nc12,CNc1ncnc2ncc(O)[nH+]c12	CNc1ncnc2ncc(O)nc12	mol8204	CNc1ncnc2ncc(O)nc12