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        "molfile": "\n  Marvin  01132107552D          \n\n 21 22  0  0  0  0            999 V2000\n    6.3990   -2.7289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3841   -1.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0754   -0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0887   -1.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7841   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6642   -1.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3556   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6489   -0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2296   -2.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4139   -3.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7687    0.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5684   -2.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5059   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3371    0.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9447   -1.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5193   -1.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2106   -0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2216   -1.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9341   -0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2427   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9494   -1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  2  2  0  0  0  0\n  5  3  1  0  0  0  0\n  6  2  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  6  2  0  0  0  0\n  9  1  2  0  0  0  0\n 10  1  2  0  0  0  0\n 11  5  2  0  0  0  0\n 12  1  1  0  0  0  0\n 13  5  1  0  0  0  0\n 14  7  1  0  0  0  0\n 15  6  1  0  0  0  0\n 16 13  2  0  0  0  0\n 17 13  1  0  0  0  0\n 18 15  1  0  0  0  0\n 19 17  2  0  0  0  0\n 20 16  1  0  0  0  0\n 21 19  1  0  0  0  0\n  3  7  2  0  0  0  0\n 20 21  2  0  0  0  0\nM  END",
        "smiles": "COc1cc(c(cc1S(=O)(=O)O)C(=O)c2ccccc2)O",
        "formula": "C14H12O6S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "308.3081",
        "optical_activity": "NONE",
        "references": [
          "d3b20927-a9bc-4a8c-a0c3-6b52c39e1bfe",
          "93c483d6-ca73-40bb-a257-5c4216a163fe",
          "266c29a9-65ae-4d10-9b77-c5a06b2eb308"
        ],
        "stereo_centers": 0
      },
      "unii": "1W6L629B4K"
    }
  ]
}