[
  {
    "molid": "mol2737",
    "smiles": "CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)C2C(C1=O)[C@@]1(C)CC[C@]2(C)[S+]1[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ccc(-c2ccc(Cl)cc2)cc1[C@H]1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(C)CC[C@]2(C)[S@+]1[O-]",
        "std_free_energy": -3.0681262016296387,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCc1ccc(-c2ccc(Cl)cc2)cc1[C-]1C(=O)[C-]2[C@@H](C1=O)[C@]1(C)CC[C@@]2(C)[S@@+]1O",
        "std_free_energy": -3.2011191844940186,
        "relative_population": 0.13957774433344422
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CCc1ccc(-c2ccc(Cl)cc2)cc1[C-]1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(C)CC[C@]2(C)[S@+]1[O-]",
        "std_free_energy": -4.980989456176758,
        "relative_population": 0.8275686170799789
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]