[
  {
    "molid": "mol7336",
    "smiles": "N=c1ncccn1CCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=c1ncccn1CCO",
        "std_free_energy": -2.6168811321258545,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[N-]=c1ncccn1CCO",
        "std_free_energy": 4.983236312866211,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]