[
  {
    "molid": "mol56",
    "smiles": "CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O[C@@H](O)CC(C)C)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)[C@H](O)CC[C@@H]2O[C@H]2C[C@@H](C)O[C@@H](O)C[C@H]1O[C@H](C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O[C@@H](O)CC(C)C)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)[C@H](O)CC[C@@H]2O[C@H]2C[C@@H](C)O[C@@H](O)C[C@H]1O[C@H](C)O",
        "std_free_energy": -4.619227409362793,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O[C@@H](O)CC(C)C)[C@H](C)O3)[C@@H]([NH+](C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)[C@H](O)CC[C@@H]2O[C@H]2C[C@@H](C)O[C@@H](O)C[C@H]1O[C@H](C)O",
        "std_free_energy": -7.133135795593262,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Settimo"
      }
    ]
  }
]