[
  {
    "molid": "mol13082",
    "smiles": "NCc1ccc(F)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]Cc1ccc(F)c([O-])c1",
        "std_free_energy": -3.9808993339538574,
        "relative_population": 0.7500456431974983
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NCc1ccc(F)c(O)c1",
        "std_free_energy": -2.8820436000823975,
        "relative_population": 0.2499543568025016
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Cc1ccc(F)c(O)c1",
        "std_free_energy": -8.237213134765625,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NCc1ccc(F)c([O-])c1",
        "std_free_energy": 3.7752130031585693,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]