[
  {
    "molid": "mol37916",
    "smiles": "COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(S(=O)(=O)O)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(S(=O)(=O)O)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C",
        "std_free_energy": -0.9567694664001465,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(S(=O)(=O)[O-])c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C",
        "std_free_energy": -7.7159881591796875,
        "relative_population": 0.9793848830498172
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]