[
  {
    "molid": "mol19507",
    "smiles": "O=C(O)C(=O)CC(=O)c1ccc(Cc2ccc(Cl)c(Cl)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(=O)CC(=O)c1ccc(Cc2ccc(Cl)c(Cl)c2)cc1",
        "std_free_energy": -1.4432369470596313,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(=O)CC(=O)c1ccc(Cc2ccc(Cl)c(Cl)c2)cc1",
        "std_free_energy": -10.59855842590332,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C(=O)[CH-]C(=O)c1ccc(Cc2ccc(Cl)c(Cl)c2)cc1",
        "std_free_energy": -3.9740219116210938,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 9.22,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]