[
  {
    "molid": "mol20537",
    "smiles": "CCCCOc1cc(N)ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCOc1cc([NH3+])ccc1C(=O)[O-]",
        "std_free_energy": -3.3879785537719727,
        "relative_population": 0.1929877358883463
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCOc1cc(N)ccc1C(=O)O",
        "std_free_energy": -4.818690776824951,
        "relative_population": 0.8070122641116537
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCOc1cc(N)ccc1C(=O)[O-]",
        "std_free_energy": -9.027925491333008,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]