pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.67	IUPAC digitized pKa	1	0	C[NH+](C)c1ccc(-c2cnc(N)nc2)cc1,CN(C)c1ccc(-c2cnc(N)[nH+]c2)cc1,CN(C)c1ccc(-c2cnc([NH3+])nc2)cc1	CN(C)c1ccc(-c2cnc(N)nc2)cc1	mol7048	CN(C)c1ccc(-c2cnc(N)nc2)cc1
2.48	IUPAC digitized pKa	2	1	C[NH+](C)c1ccc(-c2cnc(N)[nH+]c2)cc1,C[NH+](C)c1ccc(-c2cnc([NH3+])nc2)cc1	C[NH+](C)c1ccc(-c2cnc(N)nc2)cc1,CN(C)c1ccc(-c2cnc(N)[nH+]c2)cc1,CN(C)c1ccc(-c2cnc([NH3+])nc2)cc1	mol7048	CN(C)c1ccc(-c2cnc(N)nc2)cc1