pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.37	IUPAC digitized pKa	0	-1	CN(C)c1nc(N(C)C)c2ncc(=O)[nH]c2n1	CN(C)c1nc(N(C)C)c2ncc(=O)[n-]c2n1	mol8112	CN(C)c1nc(N(C)C)c2ncc(=O)[nH]c2n1
2.78	IUPAC digitized pKa	1	0	CN(C)c1nc([NH+](C)C)c2ncc(=O)[nH]c2n1,CN(C)c1nc([NH+](C)C)nc2[nH]c(=O)cnc12,CN(C)c1nc2[nH]c(=O)cnc2c(N(C)C)[nH+]1,CN(C)c1nc(N(C)C)c2ncc(=O)[nH]c2[nH+]1	CN(C)c1nc(N(C)C)c2ncc(=O)[nH]c2n1	mol8112	CN(C)c1nc(N(C)C)c2ncc(=O)[nH]c2n1