pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1	AttenGpKa training set	0	-1	O/N=C(\c1ccccc1)c1ccccn1	[O-]/N=C(\c1ccccc1)c1ccccn1	mol31615	O/N=C(\c1ccccc1)c1ccccn1
3.54	AttenGpKa training set	1	0	O/[NH+]=C(\c1ccccc1)c1ccccn1,O/N=C(\c1ccccc1)c1cccc[nH+]1	O/N=C(\c1ccccc1)c1ccccn1	mol31615	O/N=C(\c1ccccc1)c1ccccn1