pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.85	IUPAC digitized pKa	1	0	CN(C)c1[nH+]cnc2ncc(O)nc12,CN(C)c1ncnc2[nH+]cc(O)nc12,CN(C)c1nc[nH+]c2ncc(O)nc12,CN(C)c1ncnc2ncc(O)[nH+]c12,C[NH+](C)c1ncnc2ncc(O)nc12	CN(C)c1ncnc2ncc(O)nc12	mol8176	CN(C)c1ncnc2ncc(O)nc12