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          "id": "94969249-7ba1-4cea-a9fb-42a271f2db65",
          "molfile": "\n  Marvin  01132107432D          \n\n  1  0  0  0  0  0            999 V2000\n   18.0077   -4.5712    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   1\nM  END",
          "smiles": "[Na+]",
          "formula": "Na",
          "atropisomerism": "No",
          "charge": 1,
          "count": 4,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 4,
            "units": "MOL RATIO",
            "uuid": "7bf758d5-d9df-4bad-8966-1c7d6a456de0"
          },
          "defined_stereo": 0,
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          "molecular_weight": "22.9898",
          "optical_activity": "NONE",
          "stereo_centers": 0
        },
        {
          "uuid": "66eb5bdd-f733-4030-b238-fc426bbef2ad",
          "id": "66eb5bdd-f733-4030-b238-fc426bbef2ad",
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11 10  2  0  0  0  0\n 12 11  1  0  0  0  0\n 11 44  1  0  0  0  0\n 12 13  1  0  0  0  0\n 41 12  2  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  1  0  0  0  0\n 15 36  2  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 18 19  1  0  0  0  0\n 31 18  2  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 26 21  2  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 27  1  0  0  0  0\n 25 26  1  0  0  0  0\n 27 28  1  0  0  0  0\n 27 29  2  0  0  0  0\n 27 30  2  0  0  0  0\n 32 31  1  0  0  0  0\n 31 36  1  0  0  0  0\n 33 32  2  0  0  0  0\n 34 33  1  0  0  0  0\n 35 34  2  0  0  0  0\n 34 37  1  0  0  0  0\n 36 35  1  0  0  0  0\n 37 38  1  0  0  0  0\n 37 39  2  0  0  0  0\n 37 40  2  0  0  0  0\n 41 42  1  0  0  0  0\n 43 41  1  0  0  0  0\n 44 45  1  0  0  0  0\n 44 46  2  0  0  0  0\n 44 47  2  0  0  0  0\n 48 49  1  0  0  0  0\n 48 50  2  0  0  0  0\n 48 51  2  0  0  0  0\nM  CHG  4  28  -1  38  -1  42  -1  49  -1\nM  END",
          "smiles": "CC(=O)Nc1ccc(c2cc(c(c(c21)[O-])/N=N/c3ccc(c4ccc(cc43)S(=O)(=O)[O-])/N=N/c5ccc(cc5)S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)[O-]",
          "formula": "C28H17N5O14S4",
          "atropisomerism": "No",
          "charge": -4,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "fb692b98-5b9a-4af7-a5d6-fa8a52f65b13"
          },
          "defined_stereo": 0,
          "ez_centers": 2,
          "molecular_weight": "775.7251",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "1964054d-5683-4443-8417-03000149997f",
      "version": "16",
      "structure": {
        "id": "74ddc3a0-e04a-4acd-8acf-8a7757310385",
        "molfile": "\n  Marvin  01132106042D          \n\n 55 55  0  0  0  0            999 V2000\n   12.8186   -4.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4067   -5.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5828   -5.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1708   -4.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5828   -4.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4067   -4.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8186   -3.3634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6160   -3.5775    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.0996   -2.5901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0714   -3.0131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1708   -3.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3469   -3.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9303   -4.0784    0.0000 C   0  0  0  0  0  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0\n  5  4  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  1  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  7 10  2  0  0  0  0\n 11  5  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  4 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 13 16  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 20 19  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 18  1  0  0  0  0\n 21 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 31 26  1  0  0  0  0\n 29 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 32 34  2  0  0  0  0\n 32 35  2  0  0  0  0\n 36 20  1  0  0  0  0\n 37 36  2  0  0  0  0\n 38 37  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 39 41  2  0  0  0  0\n 39 42  2  0  0  0  0\n 43 38  2  0  0  0  0\n 19 43  1  0  0  0  0\n 12 44  1  0  0  0  0\n 44 45  1  0  0  0  0\n 44 46  2  0  0  0  0\n 44 47  2  0  0  0  0\n  3 48  1  0  0  0  0\n 48 49  1  0  0  0  0\n 49 50  1  0  0  0  0\n 49 51  2  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\nM  CHG  8   8  -1  33  -1  40  -1  45  -1  52   1  53   1  54   1  55   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  4  52  53  54  55\nM  SPA   1  1  52\nM  SDI   1  4   17.5891   -4.9916   17.5891   -4.1516\nM  SDI   1  4   18.4291   -4.1516   18.4291   -4.9916\nM  SMT   1 4\nM  END",
        "smiles": "CC(=O)Nc1ccc(c2cc(c(c(c21)O)/N=N/c3ccc(c4ccc(cc43)S(=O)(=O)[O-])/N=N/c5ccc(cc5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]",
        "formula": "C28H17N5O14S4.4Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "867.6842",
        "optical_activity": "NONE",
        "references": [
          "1d822405-6ff1-4b0f-bbe3-9d4455788999",
          "fe5ce168-8845-491b-b836-d4a3e9ce58d8"
        ],
        "stereo_centers": 0
      },
      "unii": "2WPR32U0CP"
    }
  ]
}