[
  {
    "molid": "mol29625",
    "smiles": "O=C(NC1=CON=CC=C1)c1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NC1=CON=CC=C1)c1cccc(O)c1",
        "std_free_energy": -6.835223197937012,
        "relative_population": 0.9999997779650373
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(NC1=CON=CC=C1)c1cccc([O-])c1",
        "std_free_energy": -1.492558479309082,
        "relative_population": 0.9709372366310303
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([N-]C1=CON=CC=C1)c1cccc([O-])c1",
        "std_free_energy": 9.038738250732422,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.81,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]