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          "smiles": "CCN(CC)c1ccc2c(c1)oc-3cc(=[N+](CC)CC)ccc3c2-c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-]",
          "formula": "C27H29N2O7S2",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "fc3e61c3-33f7-4fb6-a056-3b94589194a1"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "557.6616",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "9e3bb3db-7d85-4840-af08-a2be601e658b",
      "version": "9",
      "structure": {
        "id": "3ccf1bff-db56-4e8d-aa1c-1e89d818fb3d",
        "molfile": "\n  Marvin  01132103132D          \n\n 39 41  0  0  0  0            999 V2000\n   -0.8077   -7.2251    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    4.9158   -4.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6302   -4.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6302   -5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3447   -5.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0592   -5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0592   -4.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7736   -4.1966    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.4881   -4.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2026   -4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7736   -3.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4881   -2.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3447   -4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9158   -5.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9158   -7.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6302   -7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6302   -8.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9158   -8.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9158   -9.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0908   -9.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9158  -10.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7408   -9.6829    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2013   -8.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2013   -7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4868   -7.2078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8993   -6.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7723   -6.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0743   -7.9223    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2013   -5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4868   -5.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7723   -5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7723   -4.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0578   -4.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0578   -3.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3434   -2.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3434   -4.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6289   -4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4868   -4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2013   -4.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  2  0  0  0  0\n  7  6  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  8 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 13  7  1  0  0  0  0\n  3 13  2  0  0  0  0\n  4 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  1  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 19 20  2  0  0  0  0\n 19 21  2  0  0  0  0\n 19 22  1  0  0  0  0\n 23 18  2  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 25 27  2  0  0  0  0\n 25 28  1  0  0  0  0\n 15 24  2  0  0  0  0\n 14 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 33 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 32 38  2  0  0  0  0\n 38 39  1  0  0  0  0\n 39 29  2  0  0  0  0\n 39  2  1  0  0  0  0\nM  CHG  4   1   1   8   1  22  -1  28  -1\nM  END",
        "smiles": "CC[N+](=c1ccc2-c(c1)oc3cc(ccc3c2-c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])N(CC)CC)CC.[Na+]",
        "formula": "C27H29N2O7S2.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "580.6513",
        "optical_activity": "NONE",
        "references": [
          "9842e375-8fc9-453b-bd92-4686fed6c7ab",
          "90f0b982-d45e-44d1-bcac-b1c9ed12e4d7"
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      "unii": "821LWZ3R6R"
    }
  ]
}