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        "molfile": "\n  Marvin  01132111522D          \n\n 21 21  0  0  0  0            999 V2000\n    5.9682   -5.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6840   -5.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6840   -4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3981   -3.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3981   -3.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1099   -2.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8468   -3.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1061   -4.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3981   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1061   -5.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8133   -5.5450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.3981   -6.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2495   -5.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5346   -5.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5346   -6.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2495   -6.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9682   -6.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6764   -6.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6764   -7.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2495   -4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9577   -3.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  4  8  2  0  0  0  0\n  2  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n  9 12  2  0  0  0  0\n  1 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  2  0  0  0  0\n 17 16  1  0  0  0  0\n  1 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 13 20  1  0  0  0  0\n 20 21  1  0  0  0  0\nM  END",
        "smiles": "CCc1cccc(CC)c1N(CC(=O)OCC)C(=O)CCl",
        "formula": "C16H22ClNO3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "311.8043",
        "optical_activity": "NONE",
        "references": [
          "d19c13e1-e701-4c72-a5f7-9be3a8ae86e4",
          "20df8a5a-85f6-4bbb-824b-b24933eb385e"
        ],
        "stereo_centers": 0
      },
      "unii": "U79T955O9J"
    }
  ]
}