pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	IUPAC digitized pKa	1	0	CNc1nc[nH+]c(C)c1N,CNc1ncnc(C)c1[NH3+],CNc1[nH+]cnc(C)c1N,C[NH2+]c1ncnc(C)c1N	CNc1ncnc(C)c1N	mol7098	CNc1ncnc(C)c1N
6.82	AttenGpKa training set	1	0	CNc1nc[nH+]c(C)c1N,CNc1ncnc(C)c1[NH3+],CNc1[nH+]cnc(C)c1N,C[NH2+]c1ncnc(C)c1N	CNc1ncnc(C)c1N	mol7098	CNc1ncnc(C)c1N