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        "molfile": "\n  Marvin  01132107332D          \n\n 41 38  0  0  0  0            999 V2000\n    8.8891    0.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5951   -0.2897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8891    0.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1520   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4563    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4234    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7328   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3285   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0242    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5190   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8078    0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7631   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0571    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3614   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6398    0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9156   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2251    0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0862   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3621    0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1450   -0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4978    0.1371    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.8891    0.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5951   -0.2897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8891    0.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1520   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4563    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4234    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7328   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3285   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0242    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5190   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8078    0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7631   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0571    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3614   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6398    0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9156   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2251    0.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0862   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3621    0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1450   -0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 11 10  1  0  0  0  0\n 12  5  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 11  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20  6  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  9  1  0  0  0  0\n  8 19  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10 17  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 22  2  0  0  0  0\n 25 22  1  0  0  0  0\n 26 25  1  0  0  0  0\n 33 26  1  0  0  0  0\n 41 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 30  1  0  0  0  0\n 29 40  1  0  0  0  0\n 30 29  1  0  0  0  0\n 32 31  1  0  0  0  0\n 31 38  1  0  0  0  0\n 39 32  1  0  0  0  0\n 34 33  1  0  0  0  0\n 35 34  1  0  0  0  0\n 36 35  1  0  0  0  0\n 37 36  1  0  0  0  0\n 38 37  1  0  0  0  0\n 40 39  1  0  0  0  0\nM  CHG  3   2  -1  21   2  23  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SAL   1 15  16  17  18  19  20  22  23  24  25  26  27  28  29  30  31\nM  SAL   1 10  32  33  34  35  36  37  38  39  40  41\nM  SPA   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SPA   1  5  16  17  18  19  20\nM  SDI   1  4   -3.5650   -0.7097   -3.5650    1.3821\nM  SDI   1  4   10.0151    1.3821   10.0151   -0.7097\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]",
        "formula": "2C18H35O2.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "607.018",
        "optical_activity": "NONE",
        "references": [
          "19d3c003-7466-4e36-ad82-e741f99ed739",
          "6b88368b-8587-42d1-97fe-06bfda594242"
        ],
        "stereo_centers": 0
      },
      "unii": "776XM7047L"
    }
  ]
}