1. chemaxon.com/marvin/sketch/index.php )
  2. String testSource = "Cl.OC(=O)C1=CC=CC=C1.O=C(CN2CCNCC2)NC3CCCOC3";
  3.  
  4. // Another, trickier input: non-consecutive atom numbers in components.
  5. // String testSource = "Br1.O4CC2=CC=CC=C2.O=CN.C4C.C1C3CCCC(=O)C3.C=O";
  6. Molecule testMol = MolImporter.importMol(testSource);