[
  {
    "molid": "mol23797",
    "smiles": "Nc1ccc(O)cc1OCCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(O)cc1OCCO",
        "std_free_energy": -5.503759384155273,
        "relative_population": 0.9999876922692855
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(O)cc1OCCO",
        "std_free_energy": -2.142580032348633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]