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        "molfile": "\n  Marvin  01132106442D          \n\n 26 28  0  0  0  0            999 V2000\n    4.2126   -2.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2126   -1.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9314   -1.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6429   -1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6429   -2.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9362   -3.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3603   -3.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0747   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7880   -2.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7880   -3.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5008   -2.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4932   -1.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2060   -1.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0747   -1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5015   -1.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7836   -1.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0687   -1.3575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3553   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3553   -2.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0699   -3.0033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7836   -2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6414   -3.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0719   -2.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7835   -3.0218    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0719   -1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6346   -1.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  1  1  0  0  0  0\n  5  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  9 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n  8 14  1  0  0  0  0\n 15  2  1  0  0  0  0\n 16 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 19 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 16  2  0  0  0  0\n 22 19  1  0  0  0  0\n 23 22  2  0  0  0  0\n 23 24  1  0  0  0  0\n 25 23  1  0  0  0  0\n 26 25  2  0  0  0  0\n 18 26  1  0  0  0  0\nM  END",
        "smiles": "CCOC(=O)C(C)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl",
        "formula": "C19H17ClN2O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "372.8029",
        "optical_activity": "( + / - )",
        "references": [
          "cb6a4492-d5f5-457a-837b-7b51dafd4c87",
          "1f3683fa-cbce-4265-81b0-bf9592b41c8f"
        ],
        "stereo_centers": 1
      },
      "unii": "7280704RL4"
    }
  ]
}