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        "molfile": "\n  Marvin  01132111262D          \n\n 29 31  0  0  0  0            999 V2000\n    1.1666   -1.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9735   -1.6887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3860   -0.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8340   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0803   -0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3658   -0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3486   -0.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3658    0.5408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3486    0.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0631    0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7776    0.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7776    1.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0631    2.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3486    1.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3658    2.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0803    1.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3658    3.0158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0803    3.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0631   -0.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4920    2.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2065    2.6033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5535   -2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7250   -2.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1119   -3.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6727   -3.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8443   -2.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2312   -1.8143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5096   -3.1312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.2065   -0.8880    0.0000 Br  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  2  0  0  0  0\n  1  5  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  1  0  0  0  0\n  5  6  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n  9 14  2  0  0  0  0\n 15 16  2  0  0  0  0\n 17 18  1  0  0  0  0\n 15 17  1  0  0  0  0\n 14 15  1  0  0  0  0\n 10 19  1  0  0  0  0\n 20 21  3  0  0  0  0\n 12 20  1  0  0  0  0\n  8  9  1  0  0  0  0\n 22 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  2  0  0  0  0\n 26 27  1  0  0  0  0\n 22 27  2  0  0  0  0\n 23 28  1  0  0  0  0\n  1 22  1  0  0  0  0\n  3 29  1  0  0  0  0\nM  END",
        "smiles": "Cc1cc(cc(c1NC(=O)c2cc(Br)nn2-c3c(cccn3)Cl)C(=O)NC)C#N",
        "formula": "C19H14BrClN6O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "473.7106",
        "optical_activity": "NONE",
        "references": [
          "28f9632f-2a5d-4aee-8b68-4ae54b7372c0",
          "aa3839b7-acfc-4ddb-8657-1c73647d3101"
        ],
        "stereo_centers": 0
      },
      "unii": "LO6K6H48FD"
    }
  ]
}