[
  {
    "molid": "mol29848",
    "smiles": "Cc1cc(C)c2c(/N=N/c3ccc(O)c4ccccc34)n[nH]c2n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1cc(C)c2c(/N=N/c3ccc(O)c4ccccc34)n[nH]c2n1",
        "std_free_energy": -5.733860969543457,
        "relative_population": 0.976177408387368
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)c2c(/N=N/c3ccc([O-])c4ccccc34)n[nH]c2n1",
        "std_free_energy": -3.1310789585113525,
        "relative_population": 0.8119494733030909
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C)c2c(/N=N/c3ccc(O)c4ccccc34)n[n-]c2n1",
        "std_free_energy": -1.6683515310287476,
        "relative_population": 0.1880505266969091
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]