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        "molfile": "\n  Marvin  01132111512D          \n\n 22 24  0  0  0  0            999 V2000\n   -0.3117   -0.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5068   -0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7912    0.3117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7912   -1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8665    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0103   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5584    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5584   -0.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6816    0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3871    1.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8255   -0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2742    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2742   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1612   -0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0139    1.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3050   -1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9934    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9934   -0.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6749    0.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4076    1.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4180    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7161   -1.1782    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  2  0  0  0  0\n  3  7  2  0  0  0  0\n  4  8  2  0  0  0  0\n  5  9  2  0  0  0  0\n  5 10  1  0  0  0  0\n  6 11  1  0  0  0  0\n  7 12  1  0  0  0  0\n  8 13  1  0  0  0  0\n  9 14  1  0  0  0  0\n  9 15  1  0  0  0  0\n 11 16  1  0  0  0  0\n 12 17  2  0  0  0  0\n 13 18  2  0  0  0  0\n 15 19  1  0  0  0  0\n 15 20  1  0  0  0  0\n 15 21  1  0  0  0  0\n 18 22  1  0  0  0  0\n  7  8  1  0  0  0  0\n 11 14  2  0  0  0  0\n 17 18  1  0  0  0  0\nM  END",
        "smiles": "Cc1cc(c(c(c1)-n2nc3ccc(cc3n2)Cl)O)C(C)(C)C",
        "formula": "C17H18ClN3O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "315.7979",
        "optical_activity": "NONE",
        "references": [
          "7ebf5608-54bc-4377-9a32-7e0ea2ef8c6c",
          "1f743e23-8676-44dc-88d2-af67b3a71aa4",
          "670a3c1a-7910-4f17-a944-b0faddd852a5"
        ],
        "stereo_centers": 0
      },
      "unii": "7ZF18Q354W"
    }
  ]
}