[
  {
    "molid": "mol31532",
    "smiles": "CCC(=N/O)/C(CC)=N\\O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(=N/[O-])/C(CC)=N\\O",
        "std_free_energy": 0.7359352707862854,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCC(=N/[O-])/C(CC)=N\\[O-]",
        "std_free_energy": 16.099050521850586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.67,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]