[
  {
    "molid": "mol22371",
    "smiles": "COC(=O)C12CC(C(=O)O)(C1)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)[C@]12C[C@](C(=O)O)(C1)C2",
        "std_free_energy": -2.9793243408203125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)[C@]12C[C@](C(=O)[O-])(C1)C2",
        "std_free_energy": -9.121026992797852,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.50999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]