[
  {
    "molid": "mol24899",
    "smiles": "NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
        "std_free_energy": -5.477565765380859,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[NH+]=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
        "std_free_energy": -0.3433890640735626,
        "relative_population": 0.4780750518839359
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]N=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1",
        "std_free_energy": -0.4311451315879822,
        "relative_population": 0.521924948116064
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.13,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]