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        "molfile": "\n  Marvin  01132107002D          \n\n 32 35  0  0  0  0            999 V2000\n   -3.4687    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1832    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1832    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4687    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7543    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7543    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3253    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6109    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6109    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1036    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5325    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2470    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5325    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9615    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9615    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2470    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2470   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3904   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5325   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1036   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1036   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3253    1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1036    1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9615   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5325   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0398    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8181    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6759   -0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8181   -2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8181   -0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4687   -0.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6109   -0.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  6  1  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  5 26  1  0  0  0  0\n 26  7  1  0  0  0  0\n 22  7  2  0  0  0  0\n  7  9  1  0  0  0  0\n  8 22  1  0  0  0  0\n  8 23  2  0  0  0  0\n  9 10  2  0  0  0  0\n 10 23  1  0  0  0  0\n  4 31  1  0  0  0  0\n  9 32  1  0  0  0  0\n 10 27  1  0  0  0  0\n 27 11  1  0  0  0  0\n 13 11  2  0  0  0  0\n 11 16  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 15  2  0  0  0  0\n 16 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 19  1  0  0  0  0\n 17 24  2  0  0  0  0\n 24 28  1  0  0  0  0\n 28 18  1  0  0  0  0\n 25 19  2  0  0  0  0\n 30 19  1  0  0  0  0\n 30 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 29  1  0  0  0  0\n 29 25  1  0  0  0  0\nM  END",
        "smiles": "CO/N=C(\\c1ccccc1Oc2c(c(ncn2)Oc3ccccc3Cl)F)/C4=NOCCO4",
        "formula": "C21H16ClFN4O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "458.8277",
        "optical_activity": "NONE",
        "references": [
          "d36895c1-de29-43ca-85c9-b0417be1884e",
          "8680af6a-7b4f-41f8-9c60-c765369e9d32"
        ],
        "stereo_centers": 0
      },
      "unii": "XQ43WY091Y"
    }
  ]
}