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        "molfile": "\n  Marvin  01132106452D          \n\n 21 22  0  0  0  0            999 V2000\n    8.2982   -3.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7486   -4.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1643   -4.7729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9717   -4.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0538   -3.7729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5862   -5.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2007   -5.6913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8327   -5.5239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5011   -6.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6829   -6.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9877   -6.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5882   -5.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0771   -5.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9295   -3.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5898   -3.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7706   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2865   -3.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6262   -4.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4454   -4.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4674   -3.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1221   -2.6383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  2  3  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  1  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  3  0  0  0  0\n  3  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n  8 12  2  0  0  0  0\n  8 13  2  0  0  0  0\n  2 14  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 18 19  2  0  0  0  0\n 14 19  1  0  0  0  0\n 17 20  1  0  0  0  0\n  1 21  1  0  0  0  0\nM  END",
        "smiles": "Cc1ccc(cc1)-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C",
        "formula": "C13H13ClN4O2S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "324.7874",
        "optical_activity": "NONE",
        "references": [
          "66abf4ac-03c8-487a-a205-a2133cc9e164",
          "57118a1d-bc7d-4aaa-bec5-2cf09dade65f"
        ],
        "stereo_centers": 0
      },
      "unii": "QJC4S2YQ4B"
    }
  ]
}