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        "molfile": "\n  Marvin  01132111382D          \n\n 28 27  0  0  0  0            999 V2000\n    3.3572   -1.0212    0.0000 Cr  0  1  0  0  0  0  0  0  0  0  0  0\n   -0.7268   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7268   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0104   -2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6998   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6998   -1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0122   -0.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4967   -2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4967   -3.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2111   -1.8724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.7268   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7268   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0104   -2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6998   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6998   -1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0122   -0.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4967   -2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4967   -3.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2111   -1.8724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.7268   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7268   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0104   -2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6998   -2.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6998   -1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0122   -0.8342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4967   -2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4967   -3.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2111   -1.8724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  5  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 10  1  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  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  2  2  0  0  0  0\n 20 21  1  0  0  0  0\n 25 20  2  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 26  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 26 27  2  0  0  0  0\n 26 28  1  0  0  0  0\n 11 12  1  0  0  0  0\n 16 11  2  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 17  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 19  1  0  0  0  0\nM  CHG  4   1   3  10  -1  19  -1  28  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  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   2   3   4   5   6   7   8   9  10\nM  SDI   1  4   -1.1468   -3.5299   -1.1468   -0.4142\nM  SDI   1  4    2.6311   -0.4142    2.6311   -3.5299\nM  SMT   1 3\nM  END",
        "smiles": "c1cc(cnc1)C(=O)[O-].c1cc(cnc1)C(=O)[O-].c1cc(cnc1)C(=O)[O-].[Cr+3]",
        "formula": "3C6H4NO2.Cr",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "418.3012",
        "optical_activity": "NONE",
        "references": [
          "1ff8a7c5-6257-436f-aac4-b080b1177999",
          "d09e24a0-86ed-475b-a64c-ffee67da54ce"
        ],
        "stereo_centers": 0
      },
      "unii": "A150AY412V"
    }
  ]
}