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        "molfile": "\n  Marvin  01132102562D          \n\n 38 39  0  0  0  0            999 V2000\n   17.8559   -8.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8559   -7.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1415   -7.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4270   -7.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7124   -7.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7124   -6.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9980   -7.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2835   -7.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5689   -7.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8545   -7.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9980   -8.6804    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7124   -9.0929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7124   -9.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9980  -10.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2835   -9.9179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5689  -10.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8545   -9.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1401  -10.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4255   -9.9179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4255   -9.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1400   -8.6804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8545   -9.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7111   -8.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1401  -11.1555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2835   -9.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5689   -8.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9980  -11.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4270  -10.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1415   -9.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8559  -10.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4270   -8.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1415   -9.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.5704   -7.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.5704   -6.6178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.2849   -7.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.2849   -8.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.9994   -9.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.5704   -9.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  5  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 11  7  1  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  2  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  2  0  0  0  0\n 17 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 18 24  1  0  0  0  0\n 15 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 14 27  1  0  0  0  0\n 13 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n  4 31  1  0  0  0  0\n 31 32  2  0  0  0  0\n 33  2  2  0  0  0  0\n 33 34  1  0  0  0  0\n 35 33  1  0  0  0  0\n 36 35  2  0  0  0  0\n 36 37  1  0  0  0  0\n 38 36  1  0  0  0  0\n  1 38  2  0  0  0  0\nM  END",
        "smiles": "C/C(=C(\\CCO)/SS/C(=C(/C)\\N(Cc1cnc(C)nc1N)C=O)/CCO)/N(Cc2cnc(C)nc2N)C=O",
        "formula": "C24H34N8O4S2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "562.7111",
        "optical_activity": "NONE",
        "references": [
          "88baa0d6-a7cb-4fef-b726-a6d3ba9b549a",
          "7195cee4-6e23-49b0-911a-e14d9a33b28f"
        ],
        "stereo_centers": 0
      },
      "unii": "UJV8K21YKL"
    }
  ]
}