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      "structure": {
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        "molfile": "\n  Marvin  01132105482D          \n\n 27 22  0  0  0  0            999 V2000\n    6.5909   -5.0525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5909   -6.5848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9515   -5.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9515   -6.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4004   -4.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6319   -5.8131    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    5.6319   -7.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8492   -5.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2981   -4.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2635   -5.1214    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.8037   -5.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3549   -5.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8037   -6.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5296   -5.3802    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0\n   10.2635   -5.1214    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.8037   -5.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3549   -5.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8037   -6.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5909   -5.0525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5909   -6.5848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9515   -5.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9515   -6.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4004   -4.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6319   -5.8131    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    5.6319   -7.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8492   -5.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2981   -4.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 19 21  2  0  0  0  0\n 20 22  2  0  0  0  0\n 21 23  1  0  0  0  0\n 21 24  1  0  0  0  0\n 22 24  1  0  0  0  0\n 22 25  1  0  0  0  0\n 23 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 18  1  0  0  0  0\nM  CHG  5   6  -1  10  -1  14   4  15  -1  24  -1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  19  20  21  22  23  24\nM  SAL   1  3  25  26  27\nM  SPA   1  9   1   2   3   4   5   6   7   8   9\nM  SDI   1  4    3.8781   -7.7710    3.8781   -4.1861\nM  SDI   1  4    7.0109   -4.1861    7.0109   -7.7710\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2  8  10  11  12  13  15  16  17  18\nM  SPA   2  4  10  11  12  13\nM  SDI   2  4    9.8435   -6.8753    9.8435   -4.7014\nM  SDI   2  4   11.7749   -4.7014   11.7749   -6.8753\nM  SMT   2 2\nM  END",
        "smiles": "CCOC(=O)[CH-]C(=O)C.CCOC(=O)[CH-]C(=O)C.CC(C)[O-].CC(C)[O-].[Ti+4]",
        "formula": "2C6H9O3.2C3H7O.Ti",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "424.3093",
        "optical_activity": "NONE",
        "references": [
          "c8170194-e967-45ed-b351-cab314f3d2df",
          "d8f27ec4-b074-45e8-8f89-3d18f6081eac"
        ],
        "stereo_centers": 0
      },
      "unii": "7UG283KTX4"
    }
  ]
}