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        "molfile": "\n  Marvin  01132110272D          \n\n 26 27  0  0  0  0            999 V2000\n    2.0170    0.6706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2633    0.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7113    0.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9308    1.4911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1238    1.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7315    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1092    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4459    0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7315   -0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1604    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4459   -0.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1604   -0.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3038    0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0918   -0.4719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8749    0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5894    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3038    1.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5941    1.5293    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4447    0.1082    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0170   -0.9794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8749   -0.9794    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    0.7882    2.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5894   -0.5669    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.0183    0.2581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7328    0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4472    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  1  1  0  0  0  0\n  7  3  1  0  0  0  0\n  8  6  2  0  0  0  0\n  9  6  1  0  0  0  0\n 10  8  1  0  0  0  0\n 11  9  2  0  0  0  0\n 12 11  1  0  0  0  0\n 13 16  1  0  0  0  0\n 14  2  2  0  0  0  0\n 15 10  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 13  2  0  0  0  0\n 18  7  1  0  0  0  0\n 19  7  1  0  0  0  0\n 20  9  1  0  0  0  0\n 21 12  1  0  0  0  0\n 22  5  1  0  0  0  0\n 23 16  1  0  0  0  0\n 24 13  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n  3  5  1  0  0  0  0\n 12 10  2  0  0  0  0\nM  END",
        "smiles": "CCOC(=O)C(Cc1cc(c(cc1Cl)F)-n2c(=O)n(c(C)n2)C(F)F)Cl",
        "formula": "C15H14Cl2F3N3O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "412.1916",
        "optical_activity": "( + / - )",
        "references": [
          "b4abbee9-e22d-4935-a82a-9664cca7f3e5",
          "13808b89-ff74-4545-8db0-9544a704d437"
        ],
        "stereo_centers": 1
      },
      "unii": "45Y208AO5K"
    }
  ]
}