[
  {
    "molid": "mol4287",
    "smiles": "Cn1nccn1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1ncc[nH+]1",
        "std_free_energy": 2.0092990398406982,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cn1[nH+]cc[nH+]1",
        "std_free_energy": 15.742137908935547,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]