pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.58	OCHEM	0	-1	COc1ccc2[nH]c([S@@+]([O-])Cc3nccc(N4CCCC4)c3Cl)nc2c1	COc1ccc2[nH]c([S@@+]([O-])[CH-]c3nccc(N4CCCC4)c3Cl)nc2c1,COc1ccc2[n-]c([S@@+]([O-])Cc3nccc(N4CCCC4)c3Cl)nc2c1	mol32096	COc1ccc2[nH]c([S+]([O-])Cc3nccc(N4CCCC4)c3Cl)nc2c1