[
  {
    "molid": "mol31614",
    "smiles": "O/N=C(Cl)/C(=N/O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O/N=C(Cl)/C(=N/O)c1ccccc1",
        "std_free_energy": -7.62560510635376,
        "relative_population": 0.9999996358923684
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]/N=C(C(/Cl)=N/O)\\c1ccccc1",
        "std_free_energy": -2.4348926544189453,
        "relative_population": 0.46332176690848437
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]/N=C(Cl)/C(=N/O)c1ccccc1",
        "std_free_energy": -2.581869602203369,
        "relative_population": 0.5366782330915157
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.555,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]