content: ### Stage 1 scoring components
  [[component]]
  [component.custom_alerts]
  
  [[component.custom_alerts.endpoint]]
  name = "Unwanted SMARTS"  # user chosen name for output
  weight = 0.79  # weight to fine-tune the relevance of this component
  
  params.smarts = [
      "[*;r8]",
      "[*;r9]",
      "[*;r10]",
      "[*;r11]",
      "[*;r12]",
      "[*;r13]",
      "[*;r14]",
      "[*;r15]",
      "[*;r16]",
      "[*;r17]",
      "[#8][#8]",
      "[#6;+]",
      "[#16][#16]",
      "[#7;!n][S;!$(S(=O)=O)]",
      "[#7;!n][#7;!n]",
      "C#C",
      "C(=[O,S])[O,S]",
      "[#7;!n][C;!$(C(=[O,N])[N,O])][#16;!s]",
      "[#7;!n][C;!$(C(=[O,N])[N,O])][#7;!n]",
      "[#7;!n][C;!$(C(=[O,N])[N,O])][#8;!o]",
      "[#8;!o][C;!$(C(=[O,N])[N,O])][#16;!s]",
      "[#8;!o][C;!$(C(=[O,N])[N,O])][#8;!o]",
      "[#16;!s][C;!$(C(=[O,N])[N,O])][#16;!s]"
  ]
  
  [[component]]
  [component.MolecularWeight]
  
  [[component.MolecularWeight.endpoint]]
  name = "Molecular weight"  # user chosen name for output
  weight = 0.342  # weight to fine-tune the relevance of this component
  
  # A transform ensures that the output from the scoring component ranges
  # from 0 to 1 to serve as a proper score.  Here we use a double sigmoid
  # to transform weights in the range 200-500 a.u.
  transform.type = "double_sigmoid"
  transform.high = 500.0
  transform.low = 200.0
  transform.coef_div = 500.0
  transform.coef_si = 20.0
  transform.coef_se = 20.0
  