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{
  "reference_geometry_stability": 0.4808496480328062,
  "water_radial_distribution": 0.4508817629749878,
  "conformer_selection": 2.3564453399602432e-20,
  "reactivity": 0.0945999263142433,
  "tautomers": 0.009678332102023152,
  "noncovalent_interactions": 0.439070188529371,
  "ring_planarity": 0.8038155529258396,
  "folding_stability": 0.5298996710942319,
  "bond_length_distribution": 1.0,
  "dihedral_scan": 0.40335584006824243,
  "stability": 1.0,
  "sampling": 0.44858056100005733,
  "solvent_radial_distribution": 0.8293394908229534,
  "overall_score": 0.4992362287588274
}