[
  {
    "molid": "mol32578",
    "smiles": "OCC1OC(n2cnc3c(S)ncnc32)C(O)C1O",
    "microspecies": [
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@@H](O)[C@@H]1O",
        "std_free_energy": -6.533397197723389,
        "relative_population": 0.9960157675014091
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "OC[C@H]1O[C@@H](n2cnc3c([S-])ncnc32)[C@@H](O)[C@@H]1O",
        "std_free_energy": -3.8544540405273438,
        "relative_population": 0.9998768441823591
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6300001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]