[
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    "molid": "mol33803",
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    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1[O-]",
        "std_free_energy": -1.2349745035171509,
        "relative_population": 0.21909156507442384
      },
      {
        "id": "-1_8",
        "charge": -1,
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        "id": "-2_9",
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        "relative_population": 0.19472890754257757
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      {
        "id": "-2_24",
        "charge": -2,
        "smiles": "COc1ccc(-c2cc(=O)c3c([O-])cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H]([O-])[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O",
        "std_free_energy": 8.307762145996094,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]