[
  {
    "molid": "mol23296",
    "smiles": "Cc1ccccc1NCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1NCC(=O)O",
        "std_free_energy": -3.9986209869384766,
        "relative_population": 0.2240192238680915
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccccc1[NH2+]CC(=O)[O-]",
        "std_free_energy": -5.241016864776611,
        "relative_population": 0.7759807761319085
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccccc1NCC(=O)[O-]",
        "std_free_energy": -9.427053451538086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]