[
  {
    "molid": "mol26066",
    "smiles": "C[n+]1c(S)ccc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1c([S-])ccc2ccccc21",
        "std_free_energy": -6.304066181182861,
        "relative_population": 0.9999986657503376
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c(S)ccc2ccccc21",
        "std_free_energy": 12.116205215454102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]