[
  {
    "molid": "mol31748",
    "smiles": "CCC(CN)(CN)CN",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCC(CN)(C[NH3+])C[NH3+]",
        "std_free_energy": -9.357714653015137,
        "relative_population": 1.0
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "CCC(C[NH3+])(C[NH3+])C[NH3+]",
        "std_free_energy": -9.687274932861328,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.66,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "OCHEM"
      }
    ]
  }
]