debug db2 59 mol2 6 smi 588460

FAIL DHADMO.xaa.db2.gz 8328

FAIL DHADMO.xab.db2.gz 8364

FAIL DHADMO.xac.db2.gz 8322

FAIL DHADMO.xad.db2.gz 8461

FAIL DHADMO.xae.db2.gz 8429

FAIL DHADMO.xaf.db2.gz 8320

FAIL DHADMO.xag.db2.gz 8475

FAIL DHADMO.xah.db2.gz 8395

FAIL DHADMO.xai.db2.gz 8403

FAIL DHADMO.xaj.db2.gz 8283

FAIL DHADMO.xak.db2.gz 8316

FAIL DHADMO.xal.db2.gz 8365

FAIL DHADMO.xam.db2.gz 8320

FAIL DHADMO.xan.db2.gz 8301

FAIL DHADMO.xao.db2.gz 8274

FAIL DHADMO.xap.db2.gz 8278

FAIL DHADMO.xaq.db2.gz 8378

FAIL DHADMO.xar.db2.gz 8386

FAIL DHADMO.xas.db2.gz 8415

FAIL DHADMO.xat.db2.gz 8330

FAIL DHADMO.xau.db2.gz 8241

FAIL DHADMO.xav.db2.gz 8416

FAIL DHADMO.xaw.db2.gz 8443

FAIL DHADMO.xax.db2.gz 8481

FAIL DHADMO.xay.db2.gz 8426

FAIL DHADMO.xaz.db2.gz 8258

FAIL DHADMO.xba.db2.gz 8387

FAIL DHADMO.xbb.db2.gz 8329

FAIL DHADMO.xbc.db2.gz 8355

FAIL DHADMO.xbd.db2.gz 8499

FAIL DHADMO.xbe.db2.gz 8392

FAIL DHADMO.xbf.db2.gz 8541

FAIL DHADMO.xbg.db2.gz 8254

FAIL DHADMO.xbh.db2.gz 8592

FAIL DHADMO.xbi.db2.gz 8431

FAIL DHADMO.xbj.db2.gz 8474

FAIL DHADMO.xbk.db2.gz 8600

FAIL DHADMO.xbl.db2.gz 8459

FAIL DHADMO.xbm.db2.gz 8493

FAIL DHADMO.xbn.db2.gz 8393

FAIL DHADMO.xbo.db2.gz 8443

FAIL DHADMO.xbp.db2.gz 8506

FAIL DHADMO.xbq.db2.gz 8384

FAIL DHADMO.xbr.db2.gz 8513

FAIL DHADMO.xbs.db2.gz 8411

FAIL DHADMO.xbt.db2.gz 8510

FAIL DHADMO.xbu.db2.gz 8625

FAIL DHADMO.xbv.db2.gz 8353

FAIL DHADMO.xbw.db2.gz 8367

FAIL DHADMO.xbx.db2.gz 8318

FAIL DHADMO.xby.db2.gz 8544

FAIL DHADMO.xbz.db2.gz 8343

FAIL DHADMO.xca.db2.gz 8261

FAIL DHADMO.xcb.db2.gz 8547

FAIL DHADMO.xcc.db2.gz 8485

FAIL DHADMO.xcd.db2.gz 8592

FAIL DHADMO.xce.db2.gz 8563

FAIL DHADMO.xcf.db2.gz 8467

FAIL DHADMO.xcg.db2.gz 494938 numsmi is 588460


FAIL DHADMO.xaa.mol2.gz 83775 numsmi is 588460

FAIL DHADMO.xab.mol2.gz 167129 numsmi is 588460

FAIL DHADMO.xac.mol2.gz 250956 numsmi is 588460

FAIL DHADMO.xad.mol2.gz 335580 numsmi is 588460

FAIL DHADMO.xae.mol2.gz 376106 numsmi is 588460
FAIL DHADMO.xaf.mol2.gz 451001 numsmi is 588460