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        "molfile": "\n  Marvin  01132100582D          \n\n 31 33  0  0  0  0            999 V2000\n   13.8332   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1183   -5.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4080   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4080   -4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1183   -3.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8332   -4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1183   -3.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8332   -2.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8332   -1.8002    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1183   -1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4080   -1.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4080   -2.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6931   -5.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1183   -6.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4080   -6.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6931   -6.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9782   -6.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8332   -6.7520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5205   -7.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2630   -6.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9778   -7.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0053   -7.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8302   -6.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5451   -6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5451   -5.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2600   -5.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9703   -5.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9703   -6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2600   -6.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6851   -5.0175    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   14.5480   -5.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  1  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  8  9  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n  7 12  1  0  0  0  0\n  3 13  1  0  0  0  0\n  2 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 14 18  2  3  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 28 29  1  0  0  0  0\n 24 29  2  0  0  0  0\n 27 30  1  0  0  0  0\n  1 31  2  0  0  0  0\nM  END",
        "smiles": "CCCC(=NOCC(C)Oc1ccc(cc1)Cl)C2=C(CC(CC2=O)C3CCCSC3)O",
        "formula": "C24H32ClNO4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "466.0351",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "94ed87b9-3b88-45a7-bc89-aa0adc4a490c",
          "724d7f7a-dcbb-46b4-b82d-43c439c4c2d5"
        ],
        "stereo_centers": 3
      },
      "unii": "T7QYT6EW74"
    }
  ]
}