[
  {
    "molid": "mol14183",
    "smiles": "CCSc1nccc(O)[n+]1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCSc1nccc([O-])[n+]1C",
        "std_free_energy": -5.708202838897705,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCSc1[nH+]ccc([O-])[n+]1C",
        "std_free_energy": 9.382363319396973,
        "relative_population": 0.20933737428839702
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCSc1nccc(O)[n+]1C",
        "std_free_energy": 8.053439140319824,
        "relative_population": 0.7906626257116031
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 0.89999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]