smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1cc(Br)c(I)c(Br)c1 ZINC000065356423 568939232 /nfs/dbraw/zinc/93/92/32/568939232.db2.gz PDFBKMDPONGABY-UHFFFAOYSA-N 0 0 417.910 5.159 30 0 HKACRN COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-n1cnc(C)c1 ZINC000068249161 558809781 /nfs/dbraw/zinc/80/97/81/558809781.db2.gz VFSGAZRYSCNFDF-LJQANCHMSA-N 0 0 416.550 5.858 30 0 HKACRN COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-n1cnc(C)c1 ZINC000068249164 569399097 /nfs/dbraw/zinc/39/90/97/569399097.db2.gz VFSGAZRYSCNFDF-IBGZPJMESA-N 0 0 416.550 5.858 30 0 HKACRN