pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.84	IUPAC digitized pKa	1	0	CC(=O)N1CCNc2nc(N)nc([NH3+])c21,CC(=O)N1CCNc2nc([NH3+])nc(N)c21,CC(=O)N1CCNc2[nH+]c(N)nc(N)c21,CC(=O)N1CC[NH2+]c2nc(N)nc(N)c21,CC(=O)N1CCNc2nc(N)[nH+]c(N)c21	CC(=O)N1CCNc2nc(N)nc(N)c21	mol8035	CC(=O)N1CCNc2nc(N)nc(N)c21