[
  {
    "molid": "mol8485",
    "smiles": "CS(=O)(=O)CCNCCCCCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CS(=O)(=O)CC[NH2+]CCCCCC(=O)[O-]",
        "std_free_energy": -10.135305404663086,
        "relative_population": 0.9996809570473741
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CS(=O)(=O)CCNCCCCCC(=O)[O-]",
        "std_free_energy": -5.100914001464844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]