pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.98	AttenGpKa training set	0	-1	N/C(=N\O)c1cccnc1	N/C(=N\[O-])c1cccnc1,[NH-]/C(=N\O)c1cccnc1	mol31519	N/C(=N\O)c1cccnc1