debug db2 51 mol2 6 smi 50236

FAIL DFEDHN.xaa.db2.gz 992

FAIL DFEDHN.xab.db2.gz 985

FAIL DFEDHN.xac.db2.gz 983

FAIL DFEDHN.xad.db2.gz 994

FAIL DFEDHN.xae.db2.gz 992

FAIL DFEDHN.xaf.db2.gz 989

FAIL DFEDHN.xag.db2.gz 994

FAIL DFEDHN.xah.db2.gz 985

FAIL DFEDHN.xai.db2.gz 987

FAIL DFEDHN.xaj.db2.gz 990

FAIL DFEDHN.xak.db2.gz 993

FAIL DFEDHN.xal.db2.gz 992
DFEDHN.xam.db2.gz DFEDHN.xan.db2.gz 
FAIL DFEDHN.xao.db2.gz 994

FAIL DFEDHN.xap.db2.gz 998

FAIL DFEDHN.xaq.db2.gz 996
DFEDHN.xar.db2.gz 
FAIL DFEDHN.xas.db2.gz 981

FAIL DFEDHN.xat.db2.gz 987

FAIL DFEDHN.xau.db2.gz 999

FAIL DFEDHN.xav.db2.gz 989
DFEDHN.xaw.db2.gz 
FAIL DFEDHN.xax.db2.gz 996

FAIL DFEDHN.xay.db2.gz 997

FAIL DFEDHN.xaz.db2.gz 996

FAIL DFEDHN.xba.db2.gz 995
DFEDHN.xbb.db2.gz 
FAIL DFEDHN.xbc.db2.gz 991

FAIL DFEDHN.xbd.db2.gz 999

FAIL DFEDHN.xbe.db2.gz 992

FAIL DFEDHN.xbf.db2.gz 994

FAIL DFEDHN.xbg.db2.gz 996

FAIL DFEDHN.xbh.db2.gz 994

FAIL DFEDHN.xbi.db2.gz 996

FAIL DFEDHN.xbj.db2.gz 998

FAIL DFEDHN.xbk.db2.gz 993

FAIL DFEDHN.xbl.db2.gz 991
DFEDHN.xbm.db2.gz 
FAIL DFEDHN.xbn.db2.gz 988
DFEDHN.xbo.db2.gz 
FAIL DFEDHN.xbp.db2.gz 995

FAIL DFEDHN.xbq.db2.gz 999
DFEDHN.xbr.db2.gz 
FAIL DFEDHN.xbs.db2.gz 989

FAIL DFEDHN.xbt.db2.gz 991

FAIL DFEDHN.xbu.db2.gz 997

FAIL DFEDHN.xbv.db2.gz 990

FAIL DFEDHN.xbw.db2.gz 995

FAIL DFEDHN.xbx.db2.gz 990

FAIL DFEDHN.xby.db2.gz 49918 numsmi is 50236


FAIL DFEDHN.xaa.mol2.gz 9891 numsmi is 50236

FAIL DFEDHN.xab.mol2.gz 19832 numsmi is 50236

FAIL DFEDHN.xac.mol2.gz 29794 numsmi is 50236

FAIL DFEDHN.xad.mol2.gz 39736 numsmi is 50236

FAIL DFEDHN.xae.mol2.gz 45394 numsmi is 50236
FAIL DFEDHN.xaf.mol2.gz 45630 numsmi is 50236