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        "molfile": "\n  Marvin  01132103152D          \n\n 35 38  0  0  0  0            999 V2000\n    3.5951   -0.3572    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5925   -1.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1094   -1.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7702   -1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0114   -2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3891   -1.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3891   -0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3539   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6028   -3.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5341   -0.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0242   -3.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1127   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8517   -3.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5213   -2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2603   -3.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3539   -2.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8363   -2.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1116    0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3638    0.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6105   -4.5664    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    1.1178   -0.2570    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    6.0852   -3.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1127   -3.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2680   -4.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2878   -1.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0984   -1.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0297   -3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7856   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0958   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2801   -3.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4938   -2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5015   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5059   -3.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8128   -1.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8153   -0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  2  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  1  1  0  0  0  0\n  8  4  2  0  0  0  0\n  9  5  2  0  0  0  0\n 10  8  1  0  0  0  0\n 11  9  1  0  0  0  0\n 12 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 14 16  2  0  0  0  0\n 15 17  2  0  0  0  0\n 16  4  1  0  0  0  0\n 17  5  1  0  0  0  0\n 18  1  2  0  0  0  0\n 19  1  2  0  0  0  0\n 20 11  1  0  0  0  0\n 21 10  1  0  0  0  0\n 22 15  1  0  0  0  0\n 23 14  1  0  0  0  0\n 24 13  1  0  0  0  0\n 25 12  1  0  0  0  0\n 26  6  1  0  0  0  0\n 27  9  1  0  0  0  0\n 28  8  1  0  0  0  0\n 29  7  1  0  0  0  0\n 30 23  1  0  0  0  0\n 31 22  1  0  0  0  0\n 32 22  1  0  0  0  0\n 33 23  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 29  2  0  0  0  0\n  6  2  1  0  0  0  0\n 34 26  2  0  0  0  0\n 13 11  2  0  0  0  0\n 12 10  2  0  0  0  0\nM  END",
        "smiles": "CC(C)c1cc(c(C)c(c1O)Br)C2(c3ccccc3S(=O)(=O)O2)c4cc(C(C)C)c(c(c4C)Br)O",
        "formula": "C27H28Br2O5S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "624.3824",
        "optical_activity": "NONE",
        "references": [
          "6cce7776-d622-4fb9-8dad-be079c92164f",
          "f7d6efdf-b39a-4073-a645-36a03d6c665b"
        ],
        "stereo_centers": 0
      },
      "unii": "VGU4LM0H96"
    }
  ]
}