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        "molfile": "\n  Marvin  01132109112D          \n\n 30 29  0  0  0  0            999 V2000\n   13.4172   -3.0937    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   15.6767   -4.4492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1231   -4.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8296   -4.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5417   -4.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5417   -5.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2554   -6.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9737   -5.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9737   -4.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6875   -6.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4011   -5.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4011   -4.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6155   -6.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1195   -6.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8333   -6.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5470   -6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2649   -6.4804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9799   -6.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6931   -6.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2649   -5.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9762   -5.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2554   -6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9756   -7.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9756   -8.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2588   -8.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5451   -8.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5451   -7.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7898   -6.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8279   -6.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1231   -5.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 11 14  1  0  0  0  0\n 14 15  3  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 17 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n  7 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  1  0  0  0  0\n 22 27  1  0  0  0  0\n  7 28  1  0  0  0  0\n 29  6  2  0  0  0  0\n 30 29  1  0  0  0  0\n  3 30  2  0  0  0  0\nM  END",
        "smiles": "CCN(CC)CC#CC(C)(C)OC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl.O",
        "formula": "C24H35NO3.ClH.H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "440.0167",
        "optical_activity": "( + / - )",
        "references": [
          "32e591d1-8b90-42c8-9401-f0cedba69730",
          "2fead6ce-6a98-4418-ae85-2917a3c25016"
        ],
        "stereo_centers": 1
      },
      "unii": "Q5WYL51TBK"
    }
  ]
}