[
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    "molid": "mol37313",
    "smiles": "N#Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N#Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1",
        "std_free_energy": -2.6640865802764893,
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      {
        "id": "-1_3",
        "charge": -1,
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        "std_free_energy": -10.679462432861328,
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    "macro_pka_values": [
      {
        "pka_value": 3.22000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]