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          "molfile": "\n  Marvin  01132106212D          \n\n 10  9  0  0  1  0            999 V2000\n    7.4300    0.0481    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n    7.4300   -0.7294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6899    0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9658    0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2286    0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2286    1.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5018    0.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1540    0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8585    0.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1736    1.2683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  1  0  0  0\n  3  1  1  0  0  0  0\n  8  1  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  5  2  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  2  0  0  0  0\nM  END",
          "smiles": "C(CC(=O)O)[C@@H](C(=O)O)N",
          "formula": "C5H9NO4",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "e9ec7c33-d7a3-4211-98ea-99f80605af7f"
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          "molfile": "\n  Marvin  01132104432D          \n\n 12 11  0  0  1  0            999 V2000\n    1.3231   -0.2338    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n    1.3231   -1.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6005    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1302   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8555    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5728   -0.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3086    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3086    0.9749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0259   -0.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0536    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0536    0.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7789   -0.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  1  0  0  0\n  1  3  1  0  0  0  0\n 10  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  7  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 10  2  0  0  0  0\nM  END",
          "smiles": "C(C[C@@H](C(=O)O)N)CNC(=N)N",
          "formula": "C6H14N4O2",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "a62a6371-c900-4512-9c7f-7e6b06c166a3"
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          "molecular_weight": "174.2012",
          "optical_activity": "UNSPECIFIED",
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        }
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      "definition_level": "COMPLETE",
      "uuid": "524d93e2-68bd-4072-958c-bfd44af9e926",
      "version": "12",
      "structure": {
        "id": "bdcea981-79db-402b-955c-9acc57d1ecae",
        "molfile": "\n  Marvin  01132109492D          \n\n 22 20  0  0  1  0            999 V2000\n   -2.3118    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0564    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3118    0.9763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0564    0.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5750   -0.2341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3249   -0.2341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -3.0301   -0.2341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7827   -0.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3249   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8567    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6013    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1304   -0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3985   -0.7263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2064    0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3985    0.0479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    5.2064    1.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6615    0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9405    0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1194    0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4827    0.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8209    0.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1389    1.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  2  0  0  0  0\n  4  2  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6 11  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8  2  1  0  0  0  0\n  6  9  1  1  0  0  0\n 10  5  1  0  0  0  0\n 11 12  1  0  0  0  0\n 14 18  1  0  0  0  0\n 15 13  1  1  0  0  0\n 16 14  2  0  0  0  0\n 17 15  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 15  1  0  0  0  0\n 20 14  1  0  0  0  0\n 12 10  1  0  0  0  0\n 19 21  1  0  0  0  0\n  2  6  1  0  0  0  0\n 19 22  2  0  0  0  0\nM  END",
        "smiles": "C(C[C@@H](C(=O)O)N)CNC(=N)N.C(CC(=O)O)[C@@H](C(=O)O)N",
        "formula": "C6H14N4O2.C5H9NO4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
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        "ez_centers": 0,
        "molecular_weight": "321.3307",
        "optical_activity": "UNSPECIFIED",
        "references": [
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          "22bc487f-d000-4956-b568-3988a31edf49"
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      "unii": "TU1X77K34Q"
    }
  ]
}