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      "structure": {
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        "molfile": "\n  Marvin  01132103442D          \n\n 36 37  0  0  0  0            999 V2000\n    6.4446   -3.2662    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4446   -4.0990    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    7.1499   -4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8638   -4.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8638   -3.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6655   -2.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0848   -2.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1499   -5.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5918   -4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5918   -2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3056   -4.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3056   -3.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5241   -1.3201    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.8867   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3711   -3.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4844   -0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2266   -3.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9802   -4.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1897   -1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1810   -0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5436   -1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1075   -0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7931   -0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7137   -1.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3596   -0.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9800   -1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6173   -0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2547   -1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8722   -0.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4560   -1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8212   -1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7223   -3.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4476   -4.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3569   -4.7704    0.0000 C   0  0  0  0  0  0  0  0  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  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 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 13  1  0  0  0  0\n 17 13  1  0  0  0  0\n 18 13  1  0  0  0  0\n 19 15  2  0  0  0  0\n 20 15  1  0  0  0  0\n 21 16  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 31  1  0  0  0  0\n 24 32  1  0  0  0  0\n 25 21  1  0  0  0  0\n 26 24  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\n 30 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 25  1  0  0  0  0\n 33 22  1  0  0  0  0\n 34 19  1  0  0  0  0\n 35 20  2  0  0  0  0\n 36 35  1  0  0  0  0\n 36 34  2  0  0  0  0\nM  CHG  2   2  -1  13   1\nM  END",
        "smiles": "CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.c1ccc2c(c1)C(=O)[N-]S2(=O)=O",
        "formula": "C23H42N.C7H4NO3S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "514.7651",
        "optical_activity": "NONE",
        "references": [
          "b80f5f36-b787-4786-82dc-2e49792fe385",
          "ddec3d65-e71f-4629-9120-85c27357847d"
        ],
        "stereo_centers": 0
      },
      "unii": "Q3NHK36BKL"
    }
  ]
}