[
  {
    "molid": "mol34922",
    "smiles": "CC1(C)SC(CNC(=O)Cc2ccccc2)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)S[C@@H](CNC(=O)Cc2ccccc2)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)O",
        "std_free_energy": -2.1489806175231934,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)S[C@@H](CNC(=O)Cc2ccccc2)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)[O-]",
        "std_free_energy": -10.836404800415039,
        "relative_population": 0.9999967538952413
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]