pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.17	AttenGpKa training set	0	-1	Cn1c(/C=N/O)nc2ccccc21	Cn1c(/C=N/[O-])nc2ccccc21	mol26450	Cn1c(/C=N/O)nc2ccccc21
3.71	AttenGpKa training set	1	0	Cn1c(/C=[NH+]/O)nc2ccccc21,Cn1c(/C=N/O)[nH+]c2ccccc21	Cn1c(/C=N/O)nc2ccccc21	mol26450	Cn1c(/C=N/O)nc2ccccc21