[
  {
    "molid": "mol15478",
    "smiles": "Cc1ccc(O)c(Cc2cc([N+](=O)[O-])ccc2O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(O)c(Cc2cc([N+](=O)[O-])ccc2O)c1",
        "std_free_energy": -4.424935340881348,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([O-])c(Cc2cc([N+](=O)[O-])ccc2O)c1",
        "std_free_energy": -2.4648945331573486,
        "relative_population": 0.09195513044093938
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(O)c(Cc2cc([N+](=O)[O-])ccc2[O-])c1",
        "std_free_energy": -4.754887580871582,
        "relative_population": 0.9080448695590606
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc([O-])c(Cc2cc([N+](=O)[O-])ccc2[O-])c1",
        "std_free_energy": 6.6684722900390625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.3400002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 11.46,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.460000038147,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]