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        "molfile": "\n  Marvin  01132105522D          \n\n 28 30  0  0  1  0            999 V2000\n    5.7539   -3.9895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0131   -4.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8430   -4.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0954   -3.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4218   -3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9479   -2.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6177   -2.7536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    4.2853   -2.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0270   -1.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2021   -1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6120   -3.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8946   -3.9873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3252   -3.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9968   -2.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9926   -3.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7100   -2.2606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    6.4232   -2.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7058   -1.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4315   -0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4148   -0.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1322   -1.4307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.1292   -2.2557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8384   -2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5550   -2.2608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.5580   -1.4358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8444   -1.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8330   -3.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2677   -2.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8 14  1  0  0  0  0\n  1  2  1  0  0  0  0\n 14 15  2  0  0  0  0\n  3  4  1  0  0  0  0\n 14 16  1  0  0  0  0\n  4  5  2  0  0  0  0\n 16 17  1  1  0  0  0\n 17  5  1  0  0  0  0\n  7  8  1  0  0  0  0\n 16 18  1  0  0  0  0\n  8  9  1  0  0  0  0\n 18 19  1  0  0  0  0\n  9 10  1  0  0  0  0\n 19 20  2  0  0  0  0\n 10  6  1  0  0  0  0\n 21 19  1  6  0  0  0\n 21 22  1  0  0  0  0\n  5  1  1  0  0  0  0\n  7 11  1  6  0  0  0\n  6  7  1  0  0  0  0\n 11 12  1  0  0  0  0\n  2  3  2  0  0  0  0\n 21 26  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 11 13  2  0  0  0  0\n 23 27  2  0  0  0  0\n 24 28  1  6  0  0  0\nM  END",
        "smiles": "C[C@@H]1C(=O)N[C@@H](CS1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N3CCC[C@H]3C(=O)N",
        "formula": "C17H24N6O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "408.477",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "d34b119c-9bc8-44b3-bf96-758c2c8b63e6",
          "ab0e6da7-552a-4ca5-bf1c-f82910163d23",
          "3a6facfe-7160-454f-a520-c6db04580c3b"
        ],
        "stereo_centers": 4
      },
      "unii": "30MUJ6YYUY"
    }
  ]
}