[
  {
    "molid": "mol37778",
    "smiles": "COc1ccc2nc3ccc(Cl)cc3c(N)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2nc3ccc(Cl)cc3c(N)c2c1",
        "std_free_energy": -4.051621437072754,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2[nH+]c3ccc(Cl)cc3c(N)c2c1",
        "std_free_energy": -8.95756721496582,
        "relative_population": 0.6037728250897134
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc2nc3ccc(Cl)cc3c([NH3+])c2c1",
        "std_free_energy": -8.536356925964355,
        "relative_population": 0.3962271749102866
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9399995803833,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]