pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.33	Baltruschat ChEMBL	1	0	COC[n+]1c(/C=N/O)n(C)c2ccccc21	COC[n+]1c(/C=N/[O-])n(C)c2ccccc21	mol18943	COC[n+]1c(/C=N/O)n(C)c2ccccc21