pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	IUPAC digitized pKa	1	0	CNc1[nH+]cnc(N(C)C)c1N,CNc1ncnc(N(C)C)c1[NH3+],CNc1ncnc([NH+](C)C)c1N,CNc1nc[nH+]c(N(C)C)c1N,C[NH2+]c1ncnc(N(C)C)c1N	CNc1ncnc(N(C)C)c1N	mol7046	CNc1ncnc(N(C)C)c1N
5.35	AttenGpKa training set	1	0	CNc1[nH+]cnc(N(C)C)c1N,CNc1ncnc(N(C)C)c1[NH3+],CNc1ncnc([NH+](C)C)c1N,CNc1nc[nH+]c(N(C)C)c1N,C[NH2+]c1ncnc(N(C)C)c1N	CNc1ncnc(N(C)C)c1N	mol7046	CNc1ncnc(N(C)C)c1N