debug db2 57 mol2 6 smi 564168

FAIL CHADMO.xaa.db2.gz 8798

FAIL CHADMO.xab.db2.gz 8699

FAIL CHADMO.xac.db2.gz 8753

FAIL CHADMO.xad.db2.gz 8778

FAIL CHADMO.xae.db2.gz 8796

FAIL CHADMO.xaf.db2.gz 8645

FAIL CHADMO.xag.db2.gz 8749

FAIL CHADMO.xah.db2.gz 8849

FAIL CHADMO.xai.db2.gz 8834

FAIL CHADMO.xaj.db2.gz 8795

FAIL CHADMO.xak.db2.gz 8762

FAIL CHADMO.xal.db2.gz 8672

FAIL CHADMO.xam.db2.gz 8867

FAIL CHADMO.xan.db2.gz 8778

FAIL CHADMO.xao.db2.gz 8851

FAIL CHADMO.xap.db2.gz 8805

FAIL CHADMO.xaq.db2.gz 8739

FAIL CHADMO.xar.db2.gz 8836

FAIL CHADMO.xas.db2.gz 8747

FAIL CHADMO.xat.db2.gz 8830

FAIL CHADMO.xau.db2.gz 8792

FAIL CHADMO.xav.db2.gz 8843

FAIL CHADMO.xaw.db2.gz 8635

FAIL CHADMO.xax.db2.gz 8628

FAIL CHADMO.xay.db2.gz 8637

FAIL CHADMO.xaz.db2.gz 8738

FAIL CHADMO.xba.db2.gz 8795

FAIL CHADMO.xbb.db2.gz 8595

FAIL CHADMO.xbc.db2.gz 8652

FAIL CHADMO.xbd.db2.gz 8662

FAIL CHADMO.xbe.db2.gz 8772

FAIL CHADMO.xbf.db2.gz 8868

FAIL CHADMO.xbg.db2.gz 8776

FAIL CHADMO.xbh.db2.gz 8846

FAIL CHADMO.xbi.db2.gz 8626

FAIL CHADMO.xbj.db2.gz 8709

FAIL CHADMO.xbk.db2.gz 8760

FAIL CHADMO.xbl.db2.gz 8690

FAIL CHADMO.xbm.db2.gz 8739

FAIL CHADMO.xbn.db2.gz 8790

FAIL CHADMO.xbo.db2.gz 8697

FAIL CHADMO.xbp.db2.gz 8681

FAIL CHADMO.xbq.db2.gz 8653

FAIL CHADMO.xbr.db2.gz 8781

FAIL CHADMO.xbs.db2.gz 8854

FAIL CHADMO.xbt.db2.gz 8773

FAIL CHADMO.xbu.db2.gz 8595

FAIL CHADMO.xbv.db2.gz 8845

FAIL CHADMO.xbw.db2.gz 8787

FAIL CHADMO.xbx.db2.gz 8620

FAIL CHADMO.xby.db2.gz 8789

FAIL CHADMO.xbz.db2.gz 8751

FAIL CHADMO.xca.db2.gz 8868

FAIL CHADMO.xcb.db2.gz 8783

FAIL CHADMO.xcc.db2.gz 8784

FAIL CHADMO.xcd.db2.gz 8697

FAIL CHADMO.xce.db2.gz 493765 numsmi is 564168


FAIL CHADMO.xaa.mol2.gz 87692 numsmi is 564168

FAIL CHADMO.xab.mol2.gz 175576 numsmi is 564168

FAIL CHADMO.xac.mol2.gz 262551 numsmi is 564168

FAIL CHADMO.xad.mol2.gz 350120 numsmi is 564168

FAIL CHADMO.xae.mol2.gz 437402 numsmi is 564168
FAIL CHADMO.xaf.mol2.gz 493741 numsmi is 564168