[
  {
    "molid": "mol25628",
    "smiles": "O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1cnc[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1cnc[nH]1",
        "std_free_energy": -4.827800273895264,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(/C=C/c1ccccc1)O[C@H]1C[C@@H]2C[C@H]1C[C@@H]2c1c[nH+]c[nH]1",
        "std_free_energy": -6.275559902191162,
        "relative_population": 0.9897818807779797
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]