pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.59	AttenGpKa training set	1	0	NC[NH+](CN)CN,NCN(CN)C[NH3+]	NCN(CN)CN	mol24468	NCN(CN)CN
10.29	AttenGpKa training set	1	0	NC[NH+](CN)CN,NCN(CN)C[NH3+]	NCN(CN)CN	mol24468	NCN(CN)CN
8.56	AttenGpKa training set	2	1	NCN(C[NH3+])C[NH3+],NC[NH+](CN)C[NH3+]	NC[NH+](CN)CN,NCN(CN)C[NH3+]	mol24468	NCN(CN)CN