[
  {
    "molid": "mol29713",
    "smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc([O-])c12",
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        "smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc([O-])cc(O)c12",
        "std_free_energy": -3.210026264190674,
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        "id": "-2_1",
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        "smiles": "O=c1cc(-c2ccc([O-])cc2)oc2cc(O)cc([O-])c12",
        "std_free_energy": -1.948434591293335,
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        "smiles": "O=c1cc(-c2ccc([O-])cc2)oc2cc([O-])cc(O)c12",
        "std_free_energy": -2.4400453567504883,
        "relative_population": 0.5141783134215582
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        "id": "-2_3",
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        "smiles": "O=c1cc(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12",
        "std_free_energy": -1.3410636186599731,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.10999965667725,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]