pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	IUPAC digitized pKa	1	0	Cn1nc[nH+]c1N,Cn1[nH+]cnc1N,Cn1ncnc1[NH3+]	Cn1ncnc1N	mol7666	Cn1ncnc1N
4.2	IUPAC digitized pKa	1	0	Cn1nc[nH+]c1N,Cn1[nH+]cnc1N,Cn1ncnc1[NH3+]	Cn1ncnc1N	mol7666	Cn1ncnc1N
4.23	AttenGpKa training set	1	0	Cn1nc[nH+]c1N,Cn1[nH+]cnc1N,Cn1ncnc1[NH3+]	Cn1ncnc1N	mol7666	Cn1ncnc1N