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          "smiles": "c1ccc2c(c1)CC[C@@H]2Nc3c4ccn([C@@H]5C[C@@H](COS(=O)(=O)N)[C@H](C5)O)c4ncn3",
          "formula": "C21H25N5O4S",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "bbebda4b-6ef5-433c-ad29-4ced57b06e57"
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          "defined_stereo": 4,
          "ez_centers": 0,
          "molecular_weight": "443.5212",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 4
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "da9e9a7b-b3cf-4403-831c-71ab139b42f2",
      "version": "15",
      "structure": {
        "id": "53802bca-8346-42ec-abe7-80a3b6be7455",
        "molfile": "\n  Marvin  01132104212D          \n\n 32 35  0  0  1  0            999 V2000\n    7.2151   -8.5966    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.8548   -2.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6868   -2.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9390   -3.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2800   -3.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6069   -3.3175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.6773   -3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7590   -4.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1043   -4.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3621   -4.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8077   -3.5317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5935   -4.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1784   -4.9162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9642   -5.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1647   -5.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5814   -5.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7908   -4.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1019   -4.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4620   -4.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7556   -5.3866    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0\n    4.3456   -6.0966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.7654   -6.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1841   -7.4533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.4367   -7.1168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.5306   -6.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3963   -8.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7269   -7.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7269   -8.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0170   -8.7562    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0170   -9.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1229   -8.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9694   -9.1046    0.0000 O   0  0  0  0  0  0  0  0  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  2  6  1  0  0  0  0\n  6  5  1  0  0  0  0\n  4  7  1  0  0  0  0\n  8  7  2  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n  5 10  1  0  0  0  0\n  6 11  1  1  0  0  0\n 11 12  1  0  0  0  0\n 13 12  2  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  2  0  0  0  0\n 12 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 16 20  1  0  0  0  0\n 21 20  1  1  0  0  0\n 22 21  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 25 24  1  0  0  0  0\n 21 25  1  0  0  0  0\n 23 26  1  6  0  0  0\n 24 27  1  6  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 29 31  2  0  0  0  0\n 29 32  2  0  0  0  0\nM  END",
        "smiles": "c1ccc2c(c1)CC[C@@H]2Nc3c4ccn([C@@H]5C[C@@H](COS(=O)(=O)N)[C@H](C5)O)c4ncn3.Cl",
        "formula": "C21H25N5O4S.ClH",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "479.9821",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "cdaa3e29-cfa0-4455-92e4-dfeacdd04365",
          "3508b1e0-3dc9-44ff-b111-90d231b19220"
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      },
      "unii": "28I8PCX76B"
    }
  ]
}