#!/usr/bin/env python
# ch28-4.py

from openeye.oechem import *

libgen = OELibraryGen("[O:1]=[C:2][Cl:3].[N:4]>>[O:1]=[C:2][N:4]")
libgen.SetExplicitHydrogens(False)
libgen.SetValenceCorrection(True)

mol = OEGraphMol()
OEParseSmiles(mol, "CC(=O)Cl")
libgen.SetStartingMaterial(mol, 0)

mol.Clear()
OEParseSmiles(mol, "NCC")
libgen.SetStartingMaterial(mol, 1)

for product in libgen.GetProducts():
    smi = OECreateCanSmiString(product)
    print smi