[
  {
    "molid": "mol14701",
    "smiles": "Nc1nc(S)c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Nc1nc(S)c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1",
        "std_free_energy": -7.024677276611328,
        "relative_population": 0.9999755989216961
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1nc([S-])c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1",
        "std_free_energy": -2.999662160873413,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]