[
  {
    "molid": "mol30500",
    "smiles": "N=C(N)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=[NH2+])c1ccccc1[O-]",
        "std_free_energy": -8.200102806091309,
        "relative_population": 0.99841472008706
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=[NH2+])c1ccccc1O",
        "std_free_energy": -10.695154190063477,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]