[
  {
    "molid": "mol33065",
    "smiles": "NC(Cc1cccc(F)c1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1cccc(F)c1)C(=O)[O-]",
        "std_free_energy": -11.822954177856445,
        "relative_population": 0.9999638020553638
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H](Cc1cccc(F)c1)C(=O)O",
        "std_free_energy": -2.1821742057800293,
        "relative_population": 0.9998842084218051
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H](Cc1cccc(F)c1)C(=O)[O-]",
        "std_free_energy": -6.426243305206299,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.97999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]