[
  {
    "molid": "mol16190",
    "smiles": "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1",
        "std_free_energy": -7.6158599853515625,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c([O-])c1",
        "std_free_energy": -0.5771339535713196,
        "relative_population": 0.6551776447826005
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc([O-])c(O)c1",
        "std_free_energy": 0.06474308669567108,
        "relative_population": 0.3448223552173995
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]