pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.16	IUPAC digitized pKa	1	0	CN(C)c1nc2c(c(N(C)C)[nH+]1)NC(=O)CN2,CN(C)c1nc([NH+](C)C)nc2c1NC(=O)CN2,CN(C)c1nc2c(c(N(C)C)n1)NC(=O)C[NH2+]2,CN(C)c1nc(N(C)C)c2c([nH+]1)NCC(=O)N2,CN(C)c1nc2c(c([NH+](C)C)n1)NC(=O)CN2	CN(C)c1nc2c(c(N(C)C)n1)NC(=O)CN2	mol8113	CN(C)c1nc2c(c(N(C)C)n1)NC(=O)CN2