[
  {
    "molid": "mol20545",
    "smiles": "Nc1ccc(C(=O)O)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(C(=O)O)cc1Cl",
        "std_free_energy": -4.713562965393066,
        "relative_population": 0.9941021429042013
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(C(=O)[O-])cc1Cl",
        "std_free_energy": -9.978397369384766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]