debug db2 37 mol2 4 smi 369730

FAIL CBADLO.xaa.db2.gz 6762

FAIL CBADLO.xab.db2.gz 7035

FAIL CBADLO.xac.db2.gz 6688

FAIL CBADLO.xad.db2.gz 6434

FAIL CBADLO.xae.db2.gz 6453

FAIL CBADLO.xaf.db2.gz 6653

FAIL CBADLO.xag.db2.gz 6888

FAIL CBADLO.xah.db2.gz 6824

FAIL CBADLO.xai.db2.gz 6737

FAIL CBADLO.xaj.db2.gz 6762

FAIL CBADLO.xak.db2.gz 6866

FAIL CBADLO.xal.db2.gz 7183

FAIL CBADLO.xam.db2.gz 6800

FAIL CBADLO.xan.db2.gz 6692

FAIL CBADLO.xao.db2.gz 6693

FAIL CBADLO.xap.db2.gz 6884

FAIL CBADLO.xaq.db2.gz 6785

FAIL CBADLO.xar.db2.gz 7163

FAIL CBADLO.xas.db2.gz 7033

FAIL CBADLO.xat.db2.gz 6757

FAIL CBADLO.xau.db2.gz 6919

FAIL CBADLO.xav.db2.gz 7264

FAIL CBADLO.xaw.db2.gz 7382

FAIL CBADLO.xax.db2.gz 6676

FAIL CBADLO.xay.db2.gz 7039

FAIL CBADLO.xaz.db2.gz 6822

FAIL CBADLO.xba.db2.gz 6781

FAIL CBADLO.xbb.db2.gz 6701

FAIL CBADLO.xbc.db2.gz 6618

FAIL CBADLO.xbd.db2.gz 6992

FAIL CBADLO.xbe.db2.gz 6738

FAIL CBADLO.xbf.db2.gz 6845

FAIL CBADLO.xbg.db2.gz 6597

FAIL CBADLO.xbh.db2.gz 6927

FAIL CBADLO.xbi.db2.gz 6837

FAIL CBADLO.xbj.db2.gz 6838

FAIL CBADLO.xbk.db2.gz 252654 numsmi is 369730


FAIL CBADLO.xaa.mol2.gz 67228 numsmi is 369730

FAIL CBADLO.xab.mol2.gz 136073 numsmi is 369730

FAIL CBADLO.xac.mol2.gz 205255 numsmi is 369730
FAIL CBADLO.xad.mol2.gz 212075 numsmi is 369730