[
  {
    "molid": "mol16152",
    "smiles": "COc1ccc(-c2cc(C(=O)O)n[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc(-c2cc(C(=O)O)n[nH]2)cc1",
        "std_free_energy": -4.186253547668457,
        "relative_population": 0.9930057959021877
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1",
        "std_free_energy": -10.344930648803711,
        "relative_population": 0.9999960020056059
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]