[
  {
    "molid": "mol2853",
    "smiles": "COc1ccc(C2=C(O)c3ccccc3C2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(C2=C(O)c3ccccc3C2=O)cc1",
        "std_free_energy": -2.9993743896484375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(C2=C([O-])c3ccccc3C2=O)cc1",
        "std_free_energy": -5.588353157043457,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]