[
  {
    "molid": "mol2721",
    "smiles": "CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)[C@H]2C[C@@H](C1=O)C2(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ccc(-c2ccc(Cl)cc2)cc1[C@H]1C(=O)[C@H]2C[C@@H](C1=O)C2(C)C",
        "std_free_energy": -4.7054972648620605,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCc1ccc(-c2ccc(Cl)cc2)cc1[C-]1C(=O)[C@H]2C[C@@H](C1=O)C2(C)C",
        "std_free_energy": -3.907425880432129,
        "relative_population": 0.9999762601588279
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]