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      "structure": {
        "id": "284e7504-8f6f-48b2-9323-d46397565957",
        "molfile": "\n  Marvin  01132102122D          \n\n 34 35  0  0  1  0            999 V2000\n    8.7596   -8.6020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   11.2072   -5.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9936   -4.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5770   -3.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3739   -3.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3634   -2.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5666   -2.6755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9832   -3.2588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.5707   -2.5443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1864   -3.4724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.4719   -3.0598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7574   -3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7574   -4.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0429   -3.0598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.3285   -3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3285   -4.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6140   -4.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8995   -4.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8995   -3.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6140   -3.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0429   -2.2348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3999   -4.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9874   -4.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1967   -4.0557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0040   -5.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6238   -5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8269   -5.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2436   -6.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4466   -5.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2331   -5.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8633   -6.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2799   -6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0768   -7.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0664   -6.1756    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  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  8  9  1  6  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  1  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 12 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 19 18  2  0  0  0  0\n 20 19  1  0  0  0  0\n 15 20  2  0  0  0  0\n 14 21  1  1  0  0  0\n 22 10  1  0  0  0  0\n 22 23  2  0  0  0  0\n 24 22  1  0  0  0  0\n 24  8  1  0  0  0  0\n  3 24  1  0  0  0  0\n  2 25  2  0  0  0  0\n  2 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 29 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 31 33  1  0  0  0  0\n 31 34  1  0  0  0  0\nM  END",
        "smiles": "CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H]([C@@]2([H])SC1)NC(=O)[C@@H](c3ccccc3)N.Cl",
        "formula": "C22H27N3O6S.ClH",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "497.9941",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "57060a25-bfef-4d45-bb5c-c46710e7d12e",
          "15c49790-0730-4ec6-865a-3660be3abf26"
        ],
        "stereo_centers": 3
      },
      "unii": "H2Q6O02R95"
    }
  ]
}