[
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    "molid": "mol37470",
    "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1",
        "std_free_energy": -6.9073686599731445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)c1[nH]c2ccccc2[nH+]1",
        "std_free_energy": -4.3558197021484375,
        "relative_population": 0.7333802185029478
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC[C@@H](O)[C@@H]([OH2+])[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1",
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      {
        "id": "1_3",
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        "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H]([OH2+])c1nc2ccccc2[nH]1",
        "std_free_energy": -2.0025925636291504,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.28000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]