#!/usr/bin/env ruby

mp2d = {}
File.readlines(File.join("pyrrolizidine-alkaloids","pa-mp2d")).each do |line|
  items = line.chomp.split(',')
  smi = items.shift
  mp2d[smi] = items
end
fps = []
mp2d.each do |smi,fp|
  fps += fp
end
fps = fps.sort.uniq
puts (["Canonical SMILES"]+fps).join(",")
mp2d.each do |smi,fp|
  print smi
  fps.each do |f|
    fp.include?(f) ? print(",1") : print(",0")
  end
  puts
end