[
  {
    "molid": "mol32359",
    "smiles": "Cc1ccc(OCC(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(OCC(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)cc1",
        "std_free_energy": -2.0638365745544434,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(OCC(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1",
        "std_free_energy": -10.908645629882812,
        "relative_population": 0.9999863909607734
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]