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johnmay/gist:643319c46e8b06dc7c12

Created September 29, 2014 10:48
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gistfile1.java
IChemObjectBuilder bldr = SilentChemObjectBuilder.getInstance();
SmilesParser smipar = new SmilesParser(bldr);
SmilesGenerator smigen = SmilesGenerator.unique();
System.out.println(smigen.create(smipar.parseSmiles("c1cc2c(cc1)cccc2")));
System.out.println(smigen.create(smipar.parseSmiles("C1=CC2=C(C=C1)C=CC=C2")));
System.out.println(smigen.create(smipar.parseSmiles("C=1C=C2C(=CC=1)C=CC=C2")));
System.out.println(smigen.create(smipar.parseSmiles("C1=CC=2C(C=C1)=CC=CC=2")));
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