[
  {
    "molid": "mol14416",
    "smiles": "CC[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H]([N+](C)(C)O)[C@@H]2O)[C@]2(C)C[C@H](C)C3(O[C@]1(C)C=C3C)O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H]([N+](C)(C)[O-])[C@@H]2O)[C@]2(C)C[C@H](C)[C@]3(O[C@]1(C)C=C3C)O2",
        "std_free_energy": -6.337005615234375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H]([N+](C)(C)O)[C@@H]2O)[C@]2(C)C[C@H](C)[C@]3(O[C@]1(C)C=C3C)O2",
        "std_free_energy": -1.0718249082565308,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]