[
  {
    "molid": "mol32241",
    "smiles": "CCCCCCCCCCCCCCCCSCC(O)C1OC(=O)C(O)=C1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCCCCSC[C@H](O)[C@@H]1OC(=O)C(O)=C1OC",
        "std_free_energy": -4.243563652038574,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCCCCCCCCCCSC[C@H](O)[C@@H]1OC(=O)C([O-])=C1OC",
        "std_free_energy": -2.1492700576782227,
        "relative_population": 0.9701503913575414
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]