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    "molid": "mol36767",
    "smiles": "O=P(O)(O)Cc1cccc(C(O)P(=O)(O)O)c1",
    "microspecies": [
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        "id": "-3_12",
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        "smiles": "O=P([O-])(O)Cc1cccc([C@@H](O)P(=O)([O-])[O-])c1",
        "std_free_energy": -13.65553092956543,
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        "relative_population": 0.44568866554851433
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        "id": "-2_3",
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        "smiles": "O=P([O-])(O)Cc1cccc([C@@H](O)P(=O)([O-])O)c1",
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        "smiles": "O=P(O)(O)Cc1cccc([C@@H](O)P(=O)([O-])[O-])c1",
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        "id": "-2_11",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.98000001907349,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.28999996185303,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]