[
  {
    "molid": "mol29427",
    "smiles": "O=C1CNC(=O)C(CS)N1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1CNC(=O)[C@H](CS)N1",
        "std_free_energy": -6.216273307800293,
        "relative_population": 0.9999983341854108
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1CNC(=O)[C@H](C[S-])N1",
        "std_free_energy": -1.6749379634857178,
        "relative_population": 0.9629691908766531
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]