[
  {
    "molid": "mol20540",
    "smiles": "CCCCCCOc1cc(N)ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCOc1cc([NH3+])ccc1C(=O)[O-]",
        "std_free_energy": -3.0808358192443848,
        "relative_population": 0.14777369577720578
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCOc1cc(N)ccc1C(=O)O",
        "std_free_energy": -4.833005905151367,
        "relative_population": 0.8522263042227942
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCOc1cc(N)ccc1C(=O)[O-]",
        "std_free_energy": -9.060921669006348,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.37,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]