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        "molfile": "\n  Marvin  01132110462D          \n\n 26 27  0  0  0  0            999 V2000\n    4.3912   -4.3911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7258   -4.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0072   -5.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8243   -5.6730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0655   -4.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1533   -4.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1533   -3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4548   -3.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8753   -2.5254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0345   -3.9442    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7479   -2.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8781   -3.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5864   -3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3319   -3.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3319   -2.5744    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0009   -3.7848    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5864   -4.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4344   -4.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1562   -4.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8682   -4.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4344   -5.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8618   -4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8618   -5.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4783   -6.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4783   -7.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7260   -6.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n  8 11  1  0  0  0  0\n  7 12  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  1  0  0  0  0\n 13 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 18 21  2  0  0  0  0\n 17 22  1  0  0  0  0\n 22  6  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 24 26  1  0  0  0  0\nM  END",
        "smiles": "CC(C)Cc1c(c(C(F)F)nc(c1C2=NCCS2)C(F)(F)F)C(=O)OC",
        "formula": "C16H17F5N2O2S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "396.3771",
        "optical_activity": "NONE",
        "references": [
          "aaa16bb2-8165-43ef-82b1-ba8e5e17f23c",
          "db97584c-a711-4405-b598-41bd8e9b9b68"
        ],
        "stereo_centers": 0
      },
      "unii": "AEQ9R142XI"
    }
  ]
}