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        "molfile": "\n  Marvin  01132100562D          \n\n 28 27  0  0  0  0            999 V2000\n    7.9139   -4.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9127   -5.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6271   -5.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3430   -5.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3401   -4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6253   -4.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0513   -4.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7633   -4.7384    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.0472   -3.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1791   -4.7384    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0\n    7.9139   -4.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9127   -5.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6271   -5.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3430   -5.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3401   -4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6253   -4.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0513   -4.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7633   -4.7384    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.0472   -3.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9139   -4.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9127   -5.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6271   -5.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3430   -5.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3401   -4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6253   -4.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0513   -4.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7633   -4.7384    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.0472   -3.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  5  6  2  0  0  0  0\n  6  1  1  0  0  0  0\n  5  7  1  0  0  0  0\n  2  3  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  1  2  2  0  0  0  0\n 25 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 26 28  2  0  0  0  0\n 16 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  2  0  0  0  0\nM  CHG  4   8  -1  10   3  18  -1  27  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  11  12  13  14  15  16\nM  SAL   1 12  17  18  19  20  21  22  23  24  25  26  27  28\nM  SPA   1  9   1   2   3   4   5   6   7   8   9\nM  SDI   1  4    7.4927   -6.4061    7.4927   -3.0818\nM  SDI   1  4   11.1833   -3.0818   11.1833   -6.4061\nM  SMT   1 3\nM  END",
        "smiles": "c1cc(cnc1)C(=O)[O-].c1cc(cnc1)C(=O)[O-].c1cc(cnc1)C(=O)[O-].[Al+3]",
        "formula": "3C6H4NO2.Al",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "393.2866",
        "optical_activity": "NONE",
        "references": [
          "ded96b80-4ed4-4b41-86be-c3a05dd39d4c",
          "13480585-293e-4172-99d3-49cd9796da78"
        ],
        "stereo_centers": 0
      },
      "unii": "BDI80PUH9N"
    }
  ]
}