[
  {
    "molid": "mol28243",
    "smiles": "O=C(CS)OCCOC(=O)CS",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CS)OCCOC(=O)CS",
        "std_free_energy": -4.098141670227051,
        "relative_population": 0.9997089488247265
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(C[S-])OCCOC(=O)CS",
        "std_free_energy": -2.7003860473632812,
        "relative_population": 0.9988339731202257
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]