[
  {
    "molid": "mol33026",
    "smiles": "NCCSCCCCCCCCCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CCSCCCCCCCCCC(=O)[O-]",
        "std_free_energy": -9.71399974822998,
        "relative_population": 0.9992761194320897
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCSCCCCCCCCCC(=O)O",
        "std_free_energy": -5.077520370483398,
        "relative_population": 0.9943032609757813
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]