[
  {
    "molid": "mol20543",
    "smiles": "C=CCOc1cc(N)ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CCOc1cc(N)ccc1C(=O)O",
        "std_free_energy": -4.909292697906494,
        "relative_population": 0.8400768683681671
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C=CCOc1cc([NH3+])ccc1C(=O)[O-]",
        "std_free_energy": -3.250492572784424,
        "relative_population": 0.15992313163183297
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=CCOc1cc(N)ccc1C(=O)[O-]",
        "std_free_energy": -9.308296203613281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]