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      "structure": {
        "id": "0162fc60-f2e0-475d-b4cb-f6cfb4d47d28",
        "molfile": "\n  Marvin  01132100242D          \n\n 36 38  0  0  0  0            999 V2000\n    4.5260   -2.9685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8250   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0011   -4.3872    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3511   -2.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7674   -2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3511   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6501   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5847   -3.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5260   -1.5344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7674   -3.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5847   -2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0587   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1174   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8837   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0011   -2.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7088   -2.9685    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.4098   -5.1043    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.2924   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0587   -0.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5260   -2.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5260   -3.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8250   -1.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2840   -4.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7105   -3.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7674   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0011   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8837   -0.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5847   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3511   -0.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6423   -5.9756    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0\n    1.6501   -2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2924   -2.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0587   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8837   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  1  0  0  0  0\n  1 16  1  0  0  0  0\n  1 21  2  0  0  0  0\n  1 22  2  0  0  0  0\n  2  7  1  0  0  0  0\n  2 17  1  0  0  0  0\n  2 23  2  0  0  0  0\n  2 24  2  0  0  0  0\n  3  8  1  0  0  0  0\n  3 18  1  0  0  0  0\n  3 25  2  0  0  0  0\n  3 26  2  0  0  0  0\n  4  5  2  0  0  0  0\n  4 10  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5 11  1  0  0  0  0\n  6  9  1  0  0  0  0\n  6 27  2  0  0  0  0\n  7 12  2  0  0  0  0\n  7 20  1  0  0  0  0\n  8 10  2  0  0  0  0\n  8 15  1  0  0  0  0\n  9 13  2  0  0  0  0\n 11 15  2  0  0  0  0\n 11 28  1  0  0  0  0\n 12 14  1  0  0  0  0\n 12 33  1  0  0  0  0\n 13 19  1  0  0  0  0\n 14 19  2  0  0  0  0\n 14 34  1  0  0  0  0\n 19 29  1  0  0  0  0\n 20 29  2  0  0  0  0\n 27 31  1  0  0  0  0\n 27 30  1  0  0  0  0\n 28 30  2  0  0  0  0\n 33 35  2  0  0  0  0\n 34 36  2  0  0  0  0\n 35 36  1  0  0  0  0\nM  CHG  4  16  -1  17  -1  18  -1  32   3\nM  END",
        "smiles": "c1ccc2c(c1)c(ccc2S(=O)(=O)[O-])/N=N/c3c(ccc4cc(cc(c43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Al+3]",
        "formula": "C20H11N2O10S3.Al",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "562.4893",
        "optical_activity": "NONE",
        "references": [
          "975e2a06-e51a-4897-aba6-cdcd08b626a3",
          "b937eb3f-e796-9871-6406-9ea0a3c2ac6c"
        ],
        "stereo_centers": 0
      },
      "unii": "K6DSC8J075"
    }
  ]
}