[
  {
    "molid": "mol25714",
    "smiles": "C[n+]1ncccc1S",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1ncccc1[S-]",
        "std_free_energy": -6.102249622344971,
        "relative_population": 0.9999992271740427
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1[nH+]cccc1[S-]",
        "std_free_energy": 6.756459712982178,
        "relative_population": 0.9803072624174393
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]