[
  {
    "molid": "mol14761",
    "smiles": "Nc1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -3.5375967025756836,
        "relative_population": 0.35211812468164755
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]c1ccccc1O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -4.147338390350342,
        "relative_population": 0.6478818753183525
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": 4.321488857269287,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]