{
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    "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.",
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        "molfile": "\n  Marvin  01132108162D          \n\n 29 26  0  0  0  0            999 V2000\n    2.0816   -7.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3808   -8.4266    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.9501   -8.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2227   -7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5219   -8.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7944   -7.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0937   -8.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3662   -7.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6655   -8.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9380   -7.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2373   -8.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5098   -7.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8091   -8.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0816   -7.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2892   -9.8223    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    2.0816   -7.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3808   -8.4266    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.9501   -8.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2227   -7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5219   -8.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7944   -7.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0937   -8.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3662   -7.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6655   -8.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9380   -7.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2373   -8.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5098   -7.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8091   -8.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0816   -7.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 14  1  2  0  0  0  0\n 14  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 29 16  2  0  0  0  0\n 29 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  1  0  0  0  0\n 28 27  1  0  0  0  0\n 29 28  1  0  0  0  0\nM  CHG  3   2  -1  15   2  17  -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  16\nM  SAL   1 13  17  18  19  20  21  22  23  24  25  26  27  28  29\nM  SPA   1 14   1   2   3   4   5   6   7   8   9  10  11  12  13  14\nM  SDI   1  4    0.9608   -8.8466    0.9608   -6.7467\nM  SDI   1  4   10.3701   -6.7467   10.3701   -8.8466\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ca+2]",
        "formula": "2C12H23O2.Ca",
        "atropisomerism": "No",
        "charge": 0,
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        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
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}