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        "molfile": "\n  Marvin  01132110232D          \n\n 46 54  0  0  0  0            999 V2000\n   11.1290   -6.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6897   -5.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1258   -5.2564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6875   -4.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1222   -3.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8177   -4.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3816   -5.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5030   -5.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0715   -5.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1978   -5.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7655   -5.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8885   -5.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4492   -5.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5770   -5.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1348   -6.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1446   -5.2369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5859   -4.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1559   -3.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4545   -4.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8921   -3.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7714   -3.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2067   -4.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0753   -4.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5167   -3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3853   -3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2701   -5.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8357   -4.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9718   -4.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5276   -5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6532   -5.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2243   -4.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9523   -5.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8258   -5.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8885   -6.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7572   -6.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5030   -6.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3814   -6.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8199   -5.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9968   -5.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4392   -5.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3056   -5.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7338   -5.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6085   -5.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0468   -5.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3005   -4.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4345   -4.5501    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  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  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 14 15  2  0  0  0  0\n 14 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 19  1  0  0  0  0\n 19 12  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 11  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23  8  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 25  6  1  0  0  0  0\n 16 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 29 32  2  0  0  0  0\n 32 33  1  0  0  0  0\n 33 26  2  0  0  0  0\n 13 34  1  0  0  0  0\n 34 35  2  0  0  0  0\n 35 10  1  0  0  0  0\n  9 36  2  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  2  0  0  0  0\n 38  2  1  0  0  0  0\n 38  7  1  0  0  0  0\n  3 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  2  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  1  0  0  0  0\n 42 45  2  0  0  0  0\n 45 46  1  0  0  0  0\n 46 39  2  0  0  0  0\nM  END",
        "smiles": "COc1ccc(cc1)N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c57)C(=O)N(c9ccc(cc9)OC)C6=O",
        "formula": "C38H22N2O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "602.5925",
        "optical_activity": "NONE",
        "references": [
          "e5d1a991-c197-46d0-bd75-4321a9ad2740",
          "5077ad79-cc3f-41a5-a3f9-c072b633c591"
        ],
        "stereo_centers": 0
      },
      "unii": "489VV3O90B"
    }
  ]
}