[
  {
    "molid": "mol32277",
    "smiles": "Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=S",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=S",
        "std_free_energy": -7.239368915557861,
        "relative_population": 0.9999999979707864
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[n-]c1=S",
        "std_free_energy": -1.7225587368011475,
        "relative_population": 0.9995375632514383
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]