pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.81	AttenGpKa training set	0	-1	O=C(O)/C(=N/O)c1ccccc1	O=C([O-])/C(=N/O)c1ccccc1	mol22358	O=C(O)/C(=N/O)c1ccccc1
11.63	AttenGpKa training set	-1	-2	O=C([O-])/C(=N/O)c1ccccc1	O=C([O-])/C(=N/[O-])c1ccccc1	mol22358	O=C(O)/C(=N/O)c1ccccc1