[
  {
    "molid": "mol11049",
    "smiles": "CCOc1cc(N)ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1cc([NH3+])ccc1C(=O)[O-]",
        "std_free_energy": -3.4070425033569336,
        "relative_population": 0.192614535793061
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCOc1cc(N)ccc1C(=O)O",
        "std_free_energy": -4.840152740478516,
        "relative_population": 0.807385464206939
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOc1cc(N)ccc1C(=O)[O-]",
        "std_free_energy": -9.147785186767578,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]