[
  {
    "molid": "mol36715",
    "smiles": "N#Cc1cccc2c1C1CCC2c2cccc(C(=O)O)c21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N#Cc1cccc2c1[C@H]1CC[C@@H]2c2cccc(C(=O)O)c21",
        "std_free_energy": -3.1577188968658447,
        "relative_population": 0.9999915562190349
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1cccc2c1[C@H]1CC[C@@H]2c2cccc(C(=O)[O-])c21",
        "std_free_energy": -9.682019233703613,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.07000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]