[
  {
    "molid": "mol34123",
    "smiles": "Cc1ccc(Sc2ccc(N)cc2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(Sc2ccc([NH3+])cc2C(=O)[O-])cc1",
        "std_free_energy": -3.840040683746338,
        "relative_population": 0.5010772926826494
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(Sc2ccc(N)cc2C(=O)O)cc1",
        "std_free_energy": -3.8357315063476562,
        "relative_population": 0.49892270731735067
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(Sc2ccc(N)cc2C(=O)[O-])cc1",
        "std_free_energy": -9.683775901794434,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.17000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]