pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	IUPAC digitized pKa	1	0	CNc1ncnc([NH3+])c1N,CNc1[nH+]cnc(N)c1N,C[NH2+]c1ncnc(N)c1N,CNc1ncnc(N)c1[NH3+],CNc1nc[nH+]c(N)c1N	CNc1ncnc(N)c1N	mol4148	CNc1ncnc(N)c1N
5.93	AttenGpKa training set	1	0	CNc1ncnc([NH3+])c1N,CNc1[nH+]cnc(N)c1N,C[NH2+]c1ncnc(N)c1N,CNc1ncnc(N)c1[NH3+],CNc1nc[nH+]c(N)c1N	CNc1ncnc(N)c1N	mol4148	CNc1ncnc(N)c1N