pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	Baltruschat ChEMBL	1	0	CCOc1ccc(-n2cc(/C=N/O)[n+](C)c2SC)cc1	CCOc1ccc(-n2cc(/C=N/[O-])[n+](C)c2SC)cc1	mol18416	CCOc1ccc(-n2cc(/C=N/O)[n+](C)c2SC)cc1
9.11999988555908	QSARToolbox	1	0	CCOc1ccc(-n2cc(/C=N/O)[n+](C)c2SC)cc1	CCOc1ccc(-n2cc(/C=N/[O-])[n+](C)c2SC)cc1	mol18416	CCOc1ccc(-n2cc(/C=N/O)[n+](C)c2SC)cc1