[
  {
    "molid": "mol29512",
    "smiles": "CCOc1nccc(O)[n+]1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCOc1nccc([O-])[n+]1C",
        "std_free_energy": -5.87308406829834,
        "relative_population": 0.9999623826781607
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1[nH+]ccc([O-])[n+]1C",
        "std_free_energy": 8.33750057220459,
        "relative_population": 0.14176242998056537
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1nccc(O)[n+]1C",
        "std_free_energy": 6.53677225112915,
        "relative_population": 0.8582375700194347
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]