[
  {
    "molid": "mol30981",
    "smiles": "CC1=CC(=O)C(C(C)C)=C/C1=C(\\c1ccccc1)c1cc(C(C)C)c(O)cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CC(=O)C(C(C)C)=C/C1=C(\\c1ccccc1)c1cc(C(C)C)c(O)cc1C",
        "std_free_energy": -6.257937431335449,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=CC(=O)C(C(C)C)=C/C1=C(\\c1ccccc1)c1cc(C(C)C)c([O-])cc1C",
        "std_free_energy": 1.868260145187378,
        "relative_population": 0.19464445376040468
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C1=CC(=O)C(C(C)C)=C/C1=C(\\c1ccccc1)c1cc(C(C)C)c(O)cc1C",
        "std_free_energy": 0.4481508731842041,
        "relative_population": 0.8053555462395953
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]