[
  {
    "molid": "mol34734",
    "smiles": "CC(=O)Nc1ccncc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1cc[nH+]cc1C(=O)[O-]",
        "std_free_energy": -8.921258926391602,
        "relative_population": 0.9828711699548671
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccncc1C(=O)[O-]",
        "std_free_energy": -10.637434959411621,
        "relative_population": 0.9999997637232186
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]