[
  {
    "molid": "mol4208",
    "smiles": "COc1ccncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccncn1",
        "std_free_energy": -8.024917602539062,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccnc[nH+]1",
        "std_free_energy": 1.564996600151062,
        "relative_population": 0.4896172907331773
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc[nH+]cn1",
        "std_free_energy": 1.523459792137146,
        "relative_population": 0.5103827092668227
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]