[
  {
    "molid": "mol23719",
    "smiles": "COc1cc(O)ccc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(O)ccc1N",
        "std_free_energy": -5.318197250366211,
        "relative_population": 0.9999813407723811
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc(O)ccc1[NH3+]",
        "std_free_energy": -2.586317539215088,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]