{
  "meta": {
    "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.",
    "terms": "https://open.fda.gov/terms/",
    "license": "https://open.fda.gov/license/",
    "last_updated": "2025-09-19",
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          "molfile": "\n  Marvin  01132107212D          \n\n  1  0  0  0  0  0            999 V2000\n   -3.2170    1.0085    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   2\nM  END",
          "smiles": "[Ba+2]",
          "formula": "Ba",
          "atropisomerism": "No",
          "charge": 2,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
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            "units": "MOL RATIO",
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          "optical_activity": "NONE",
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          "molfile": "\n  Marvin  01132105202D          \n\n 30 32  0  0  0  0            999 V2000\n   -0.3222   -2.0950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -2.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -3.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7398   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4517   -2.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1527   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1527   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4517   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7398   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -0.8339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3222    0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3222    1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310    1.6700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.3865    1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0907    1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0907    0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7996   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7996   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0907   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3865   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3865   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5115   -1.2559    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0941   -1.9677    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.2170   -1.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9257   -0.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3865    2.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4496    2.5167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.3865    3.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2182    2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  2  4  1  0  0  0  0\n  5  4  1  0  0  0  0\n  4  9  2  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 22 12  2  0  0  0  0\n 14 13  1  0  0  0  0\n 13 15  2  0  0  0  0\n 16 15  1  0  0  0  0\n 27 15  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 22 17  1  0  0  0  0\n 19 18  2  0  0  0  0\n 20 19  1  0  0  0  0\n 23 19  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 23  2  0  0  0  0\n 26 23  2  0  0  0  0\n 28 27  1  0  0  0  0\n 29 27  2  0  0  0  0\n 30 27  2  0  0  0  0\nM  CHG  4   1  -1  14  -1  24  -1  28  -1\nM  END",
          "smiles": "c1ccc(c(c1)C(=O)[O-])/N=N/c2c3ccc(cc3cc(c2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]",
          "formula": "C17H8N2O9S2",
          "atropisomerism": "No",
          "charge": -4,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "80ea444c-c488-4fab-a056-ed7562b323ca"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "448.3863",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "d0c83b9f-0840-482c-9ae2-e174d90990c5",
      "version": "3",
      "structure": {
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        "molfile": "\n  Marvin  01132112382D          \n\n 32 32  0  0  0  0            999 V2000\n   -3.2170    1.0085    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0\n    0.3865    1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3865    2.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3865    3.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4496    2.5167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2182    2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3222    1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3222    0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -0.8339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7398   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7398   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -2.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3222   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310   -3.3484    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.4517   -2.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1527   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1527   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4517   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3865   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0907    0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0907    1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7996   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7996   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5115   -1.2559    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2170   -1.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9257   -0.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0941   -1.9677    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.0907   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3865   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0310    1.6700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -3.2170    1.0085    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  3  1  0  0  0  0\n  6  3  2  0  0  0  0\n  7  2  2  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  2  0  0  0  0\n 15 13  1  0  0  0  0\n 16 12  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19 11  1  0  0  0  0\n 20  8  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22  2  1  0  0  0  0\n 23 21  1  0  0  0  0\n 24 23  2  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  2  0  0  0  0\n 27 25  2  0  0  0  0\n 28 25  1  0  0  0  0\n 29 24  1  0  0  0  0\n 29 30  2  0  0  0  0\n 30 20  1  0  0  0  0\n 31  7  1  0  0  0  0\nM  CHG  6   1   2   5  -1  15  -1  28  -1  31  -1  32   2\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2   1  32\nM  SPA   1  1   1\nM  SDI   1  4   -3.6370    0.5885   -3.6370    1.4285\nM  SDI   1  4   -2.7970    1.4285   -2.7970    0.5885\nM  SMT   1 2\nM  END",
        "smiles": "c1ccc(c(c1)C(=O)[O-])/N=N/c2c3ccc(cc3cc(c2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].[Ba+2]",
        "formula": "C17H8N2O9S2.2Ba",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "723.04",
        "optical_activity": "NONE",
        "references": [
          "cf4f9c4b-86fb-43c4-90ff-0b6904d6e3d9",
          "3bb71395-aa7a-4c44-81cc-c27d463d9584"
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        "stereo_centers": 0
      },
      "unii": "I45XGB24AV"
    }
  ]
}