[
  {
    "molid": "mol25241",
    "smiles": "Nc1cc(O)[nH]n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc(O)[nH]n1",
        "std_free_energy": -7.009406566619873,
        "relative_population": 0.9999023174555505
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc(O)[nH][nH+]1",
        "std_free_energy": 1.2128077745437622,
        "relative_population": 0.47632823591225226
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1cc(O)[nH]n1",
        "std_free_energy": 1.1181707382202148,
        "relative_population": 0.5236084772146397
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]