COC(=O)c1cc2nc([S@@+]([O-])Cc3ncccc3C)[nH]c2cc1C    mol548    0_1
COC(=O)c1cc2nc([S@@+]([O-])Cc3[nH+]cccc3C)[nH]c2cc1C    mol548    1_1
COC(=O)c1cc2[nH+]c([S@@+]([O-])Cc3ncccc3C)[nH]c2cc1C    mol548    1_2
COC(=O)c1cc2[nH+]c([S@@+]([O-])Cc3[nH+]cccc3C)[nH]c2cc1C    mol548    2_1
COC(=O)c1cc2nc([S@@+]([O-])Cc3ncccc3C)[n-]c2cc1C    mol548    -1_1