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        "molfile": "\n  Marvin  01132106542D          \n\n 19 17  0  0  1  0            999 V2000\n    0.7599   -3.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4738   -3.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1878   -3.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9018   -3.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6158   -3.0187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.3298   -3.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0437   -3.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4697   -4.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3256   -4.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6117   -2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3256   -1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3214   -0.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0396   -2.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3193   -3.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0333   -3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7473   -3.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4613   -3.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6012   -3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3151   -4.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6  7  1  0  0  0  0\n  2  8  2  0  0  0  0\n  3  4  1  0  0  0  0\n  6  9  2  0  0  0  0\n  1  2  1  0  0  0  0\n  5 10  1  6  0  0  0\n  4  5  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n  5  6  1  0  0  0  0\n 11 13  1  0  0  0  0\n  2  3  1  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 14 18  1  0  0  0  0\n 14 19  1  0  0  0  0\nM  END",
        "smiles": "CC(=O)N[C@@H](CCC(=O)O)C(=O)O.CN(C)CCO",
        "formula": "C7H11NO5.C4H11NO",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "278.3026",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "73e690e6-f158-4384-95e6-a9bfd9f94109",
          "eac5dd93-dfde-4348-a1f6-1d1abcb347fc",
          "181ab040-8376-46a2-b299-1451d48c2c2a"
        ],
        "stereo_centers": 1
      },
      "unii": "2PP737Z523"
    }
  ]
}