[
  {
    "molid": "mol33234",
    "smiles": "NC1CNCCC1O",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[C@@H]1C[NH2+]CC[C@H]1O",
        "std_free_energy": -8.361540794372559,
        "relative_population": 0.6790545867484147
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1CNCC[C@H]1O",
        "std_free_energy": -7.605712890625,
        "relative_population": 0.3188987369730931
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+][C@@H]1C[NH2+]CC[C@H]1O",
        "std_free_energy": -9.186760902404785,
        "relative_population": 0.9981283959755879
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.84,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]