pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.12	OCHEM	1	0	COc1ccc2[nH]c([S@@+]([O-])Cc3nccc([NH+](C)C)c3F)nc2c1,COc1ccc2[nH]c([S@@+]([O-])Cc3nccc(N(C)C)c3F)[nH+]c2c1,COc1ccc2[nH]c([S@@+]([O-])Cc3[nH+]ccc(N(C)C)c3F)nc2c1	COc1ccc2[nH]c([S@@+]([O-])Cc3nccc(N(C)C)c3F)nc2c1	mol32086	COc1ccc2[nH]c([S+]([O-])Cc3nccc(N(C)C)c3F)nc2c1