[
  {
    "molid": "mol15704",
    "smiles": "Cc1c(Cl)cc2nnn(O)c2c1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(Cl)cc2nnn(O)c2c1[N+](=O)[O-]",
        "std_free_energy": -1.343766450881958,
        "relative_population": 0.9999537681141801
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(Cl)cc2nnn([O-])c2c1[N+](=O)[O-]",
        "std_free_energy": -9.19143295288086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.21000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]