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        "molfile": "\n  Marvin  01132101482D          \n\n 27 29  0  0  0  0            999 V2000\n    3.6676   -3.2075    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.6676   -4.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0025   -4.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2641   -5.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8579   -6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2642   -6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0892   -6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5017   -6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0891   -5.3086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3422   -4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1247   -4.2525    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8647   -3.4699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3847   -5.0351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9079   -3.9915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6164   -4.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6164   -5.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3364   -4.0067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0429   -4.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0429   -5.2524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7473   -5.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7473   -6.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0219   -6.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4738   -5.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4738   -4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1893   -4.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8523   -4.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7617   -4.0142    0.0000 N   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  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9  4  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10  2  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  2  0  0  0  0\n 11 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 24 27  1  0  0  0  0\n 27 18  2  0  0  0  0\nM  END",
        "smiles": "COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn32)OC",
        "formula": "C14H13ClN6O5S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "412.8098",
        "optical_activity": "NONE",
        "references": [
          "3b40fb6d-3522-4302-ab29-f2855b1f7fa4",
          "f7fb1ed5-0408-46cf-b895-537f4f6a0bf1"
        ],
        "stereo_centers": 0
      },
      "unii": "27LUJ2BJDG"
    }
  ]
}