pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.83	AttenGpKa training set	1	0	C[n+]1cnc(O)c(NCC#N)c1N	C[n+]1cnc([O-])c(NCC#N)c1N	mol25786	C[n+]1cnc(O)c(NCC#N)c1N