[
  {
    "molid": "mol27518",
    "smiles": "O=C1CNC(=S)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CNC(=S)N1",
        "std_free_energy": -6.792313575744629,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[N-]C(=S)N1",
        "std_free_energy": -1.9744971990585327,
        "relative_population": 0.40012688877007385
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CNC(=S)[N-]1",
        "std_free_energy": -2.3794336318969727,
        "relative_population": 0.599873111229926
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]