[
  {
    "molid": "mol22",
    "smiles": "Cc1cc(Cl)ccc1O[C@H](C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)ccc1O[C@H](C)C(=O)O",
        "std_free_energy": -2.8486475944519043,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(Cl)ccc1O[C@H](C)C(=O)[O-]",
        "std_free_energy": -10.387779235839844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AvLiLuMoVe"
      }
    ]
  }
]