[
  {
    "molid": "mol21570",
    "smiles": "O=C(O)CCCCc1cc(=O)oc2cc(O)ccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2cc(O)ccc12",
        "std_free_energy": -7.939436912536621,
        "relative_population": 0.995908666485897
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCCCc1cc(=O)oc2cc([O-])ccc12",
        "std_free_energy": -3.4650464057922363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]