[
  {
    "molid": "mol24257",
    "smiles": "CNCCc1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNCCc1cccc(O)c1",
        "std_free_energy": -1.7576252222061157,
        "relative_population": 0.26552859674312096
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH2+]CCc1cccc([O-])c1",
        "std_free_energy": -2.7750537395477295,
        "relative_population": 0.7344714032568791
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]CCc1cccc(O)c1",
        "std_free_energy": -9.985719680786133,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]