pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.04	Baltruschat ChEMBL	1	0	CSc1n(-c2ccc(C)cc2)cc(/C=N/O)[n+]1C	CSc1n(-c2ccc(C)cc2)cc(/C=N/[O-])[n+]1C	mol18419	CSc1n(-c2ccc(C)cc2)cc(/C=N/O)[n+]1C
9.03999996185303	QSARToolbox	1	0	CSc1n(-c2ccc(C)cc2)cc(/C=N/O)[n+]1C	CSc1n(-c2ccc(C)cc2)cc(/C=N/[O-])[n+]1C	mol18419	CSc1n(-c2ccc(C)cc2)cc(/C=N/O)[n+]1C