[
  {
    "molid": "mol11510",
    "smiles": "Cc1cc(C)c(C=CC(=O)O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)c(C=CC(=O)O)c(O)c1",
        "std_free_energy": -4.151861190795898,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C)c(C=CC(=O)[O-])c(O)c1",
        "std_free_energy": -8.803139686584473,
        "relative_population": 0.9996904320567862
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.93,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.9300000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]