[
  {
    "molid": "mol32353",
    "smiles": "CCCCCCCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12",
        "std_free_energy": -1.9057117700576782,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@@H]12",
        "std_free_energy": -10.941271781921387,
        "relative_population": 0.9999837457513993
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6600001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]