[
  {
    "molid": "mol8973",
    "smiles": "NC(=O)C(Cl)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)[C@H](Cl)[N+](=O)[O-]",
        "std_free_energy": -5.4055962562561035,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)[C-](Cl)[N+](=O)[O-]",
        "std_free_energy": -6.987270355224609,
        "relative_population": 0.9998905430168207
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.56,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]