[
  {
    "molid": "mol30887",
    "smiles": "O=c1ccc2c(-c3ccccc3)c3ccc(O)cc3oc-2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccc2c(-c3ccccc3)c3ccc(O)cc3oc-2c1",
        "std_free_energy": -4.461771011352539,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccc2c(-c3ccccc3)c3ccc([O-])cc3oc-2c1",
        "std_free_energy": -2.441715717315674,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]