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        "molfile": "\n  Marvin  01132109352D          \n\n 19 19  0  0  1  0            999 V2000\n    6.0787   -3.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7885   -2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5075   -3.2748    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2219   -2.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9409   -3.2748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.6600   -2.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3744   -3.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6600   -2.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9409   -4.0906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2449   -4.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2449   -5.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5259   -4.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7885   -2.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3735   -2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3735   -2.0534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6544   -3.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6544   -4.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3735   -4.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0787   -4.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  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  6  2  0  0  0  0\n  8  6  1  0  0  0  0\n  5  9  1  1  0  0  0\n 10  9  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12 10  1  0  0  0  0\n 13  2  2  0  0  0  0\n 14  1  2  0  0  0  0\n 15 14  1  0  0  0  0\n 16 14  1  0  0  0  0\n 17 16  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19  1  1  0  0  0  0\nM  END",
        "smiles": "CC(=O)N[C@@H](CSC(=O)c1ccccc1O)C(=O)O",
        "formula": "C12H13NO5S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "283.3019",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "d34dbc53-d32b-482e-a5b6-64fe7d93405f",
          "f07dd309-56e3-4b60-bcec-3b0f348dc805",
          "c5f2daff-7dbb-40ef-9159-5a090d97c03f"
        ],
        "stereo_centers": 1
      },
      "unii": "02X9QIP2NU"
    }
  ]
}