pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.91	AttenGpKa training set	1	0	C[n+]1ncc(O)c2ccccc21,C[n+]1[nH+]cc([O-])c2ccccc21	C[n+]1ncc([O-])c2ccccc21	mol26192	C[n+]1ncc(O)c2ccccc21