[
  {
    "molid": "mol23698",
    "smiles": "Cc1cc(O)ccc1N",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)ccc1N",
        "std_free_energy": -5.398632049560547,
        "relative_population": 0.9999649439495353
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(O)ccc1[NH3+]",
        "std_free_energy": -2.688446283340454,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.42,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]