pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.45	IUPAC digitized pKa	0	-1	CN(C)c1nc(N)nc2[nH]c(=O)cnc12	CN(C)c1nc(N)nc2[n-]c(=O)cnc12	mol8076	CN(C)c1nc(N)nc2[nH]c(=O)cnc12
2.69	IUPAC digitized pKa	1	0	CN(C)c1nc(N)[nH+]c2[nH]c(=O)cnc12,C[NH+](C)c1nc(N)nc2[nH]c(=O)cnc12,CN(C)c1[nH+]c(N)nc2[nH]c(=O)cnc12,CN(C)c1nc([NH3+])nc2[nH]c(=O)cnc12	CN(C)c1nc(N)nc2[nH]c(=O)cnc12	mol8076	CN(C)c1nc(N)nc2[nH]c(=O)cnc12