[
  {
    "molid": "mol34937",
    "smiles": "C=CC1=C(C)/C(=C\\c2[nH]c(Cc3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=CC1=C(C)/C(=C\\c2[nH]c(Cc3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)[O-])c(CCC(=O)O)c2C)NC1=O",
        "std_free_energy": -8.456581115722656,
        "relative_population": 0.48902514356161497
      },
      {
        "id": "-1_7",
        "charge": -1,
        "smiles": "C=CC1=C(C)/C(=C\\c2[nH]c(Cc3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)[O-])c2C)NC1=O",
        "std_free_energy": -8.500286102294922,
        "relative_population": 0.5108719098119049
      },
      {
        "id": "-2_7",
        "charge": -2,
        "smiles": "C=CC1=C(C)/C(=C\\c2[nH]c(Cc3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)[O-])c(CCC(=O)[O-])c2C)NC1=O",
        "std_free_energy": -8.741730690002441,
        "relative_population": 0.9999586306078658
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.01000022888184,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]