[
  {
    "molid": "mol29815",
    "smiles": "COc1cc2oc3cc(O)c(O)cc3c(=O)c2c(O)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2oc3cc(O)c(O)cc3c(=O)c2c(O)c1OC",
        "std_free_energy": -5.303488254547119,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2oc3cc(O)c(O)cc3c(=O)c2c([O-])c1OC",
        "std_free_energy": -2.267169713973999,
        "relative_population": 0.3289245261752582
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc2oc3cc([O-])c(O)cc3c(=O)c2c(O)c1OC",
        "std_free_energy": -2.658679723739624,
        "relative_population": 0.48654934764554386
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1cc2oc3cc(O)c([O-])cc3c(=O)c2c(O)c1OC",
        "std_free_energy": -1.6891324520111084,
        "relative_population": 0.18452612617919797
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cc2oc3cc([O-])c([O-])cc3c(=O)c2c(O)c1OC",
        "std_free_energy": 6.704441070556641,
        "relative_population": 0.09158862284307684
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      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "COc1cc2oc3cc([O-])c(O)cc3c(=O)c2c([O-])c1OC",
        "std_free_energy": 5.205682277679443,
        "relative_population": 0.40996256558278915
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "COc1cc2oc3cc(O)c([O-])cc3c(=O)c2c([O-])c1OC",
        "std_free_energy": 5.010247230529785,
        "relative_population": 0.4984488115741339
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.41,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]