[
  {
    "molid": "mol20129",
    "smiles": "NC(C=C(F)F)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](C=C(F)F)CCC(=O)[O-]",
        "std_free_energy": -9.0529203414917,
        "relative_population": 0.999051022521615
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H](C=C(F)F)CCC(=O)[O-]",
        "std_free_energy": -5.272709369659424,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]