pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	IUPAC digitized pKa	1	0	C[NH+](C)c1ccc(N=Nc2ccccn2)cc1,CN(C)c1ccc(N=Nc2cccc[nH+]2)cc1,CN(C)c1ccc(N=[NH+]c2ccccn2)cc1	CN(C)c1ccc(N=Nc2ccccn2)cc1	mol3692	CN(C)c1ccc(N=Nc2ccccn2)cc1
2.0	IUPAC digitized pKa	2	1	C[NH+](C)c1ccc(N=[NH+]c2ccccn2)cc1,CN(C)c1ccc([NH+]=[NH+]c2ccccn2)cc1,C[NH+](C)c1ccc([NH+]=Nc2ccccn2)cc1,CN(C)c1ccc(N=[NH+]c2cccc[nH+]2)cc1	C[NH+](C)c1ccc(N=Nc2ccccn2)cc1,CN(C)c1ccc(N=Nc2cccc[nH+]2)cc1,CN(C)c1ccc(N=[NH+]c2ccccn2)cc1	mol3692	CN(C)c1ccc(N=Nc2ccccn2)cc1