{
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      "structure": {
        "id": "a4d242e8-9c1a-4cf7-be99-dd534d10bd79",
        "molfile": "\n  Marvin  01132108342D          \n\n 34 36  0  0  0  0            999 V2000\n    4.2973   -5.1190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7857   -4.4678    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3334   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5453   -4.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5453   -4.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0182   -5.5531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9691   -5.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6074   -3.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8244   -3.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7934   -5.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0957   -4.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0621   -4.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8605   -1.2274    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    2.1422   -1.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4212   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8605   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4212   -0.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1422    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5686   -1.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7158   -1.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7158   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2869   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6851   -1.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9796   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2587   -1.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5377   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8452   -1.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1268   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4188   -1.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7133   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0027   -1.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4034   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  4  5  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  1  2  0  0  0  0\n  7  1  2  0  0  0  0\n  8  3  2  0  0  0  0\n  9  4  1  0  0  0  0\n 10  5  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 10  2  0  0  0  0\n  4  3  1  0  0  0  0\n  9 11  2  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 13  2  0  0  0  0\n 17 18  2  0  0  0  0\n 18 16  1  0  0  0  0\n 19 13  1  0  0  0  0\n 20 15  1  0  0  0  0\n 21 17  1  0  0  0  0\n 22 19  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 22  1  0  0  0  0\n 32 23  1  0  0  0  0\n 33 20  2  0  0  0  0\n 34 21  2  0  0  0  0\n 17 15  1  0  0  0  0\n 34 33  1  0  0  0  0\nM  CHG  2   2  -1  13   1\nM  END",
        "smiles": "CCCCCCCCCCCC[n+]1ccc2ccccc2c1.c1ccc2c(c1)C(=O)[N-]S2(=O)=O",
        "formula": "C21H32N.C7H4NO3S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "480.6642",
        "optical_activity": "NONE",
        "references": [
          "562cefb1-a8ab-4e19-b335-0711a803eb98",
          "8798cf42-14f5-4c5f-9199-dc9be897a3aa"
        ],
        "stereo_centers": 0
      },
      "unii": "S5LL54G1G9"
    }
  ]
}