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          "citation": "NCI",
          "doc_type": "NCI DRUG DICTIONARY",
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          "smiles": "Cl",
          "formula": "ClH",
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          "count": 1,
          "stereochemistry": "ACHIRAL",
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            "units": "MOL RATIO",
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          "smiles": "C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N",
          "formula": "C6H13NO5",
          "atropisomerism": "No",
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          "stereochemistry": "ABSOLUTE",
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        "molfile": "\n  Marvin  01132103192D          \n\n 13 11  0  0  1  0            999 V2000\n    5.5437   -8.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2572   -8.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9753   -8.9496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    7.6887   -8.5353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.4023   -8.9496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.1158   -8.5353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.8291   -8.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8291   -9.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1158   -7.7110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4023   -9.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6887   -7.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9753   -9.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2918   -8.3130    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  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  7  8  2  0  0  0  0\n  6  9  1  1  0  0  0\n  5 10  1  1  0  0  0\n  4 11  1  1  0  0  0\n  3 12  1  6  0  0  0\nM  END",
        "smiles": "C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N.Cl",
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        "stereochemistry": "ABSOLUTE",
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        "ez_centers": 0,
        "molecular_weight": "215.6323",
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}