[
  {
    "molid": "mol34843",
    "smiles": "COc1cccc(C(O)C(C(=O)O)c2ccc(-c3ccccc3)cc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc([C@@H](O)[C@H](C(=O)O)c2ccc(-c3ccccc3)cc2)c1",
        "std_free_energy": -4.017823696136475,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cccc([C@@H](O)[C@H](C(=O)[O-])c2ccc(-c3ccccc3)cc2)c1",
        "std_free_energy": -9.454655647277832,
        "relative_population": 0.9999997400148498
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.28000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]