smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(OCCOCC2CC2)ccc1OC[C@H](O)CNCCNC(=O)Nc1ccc(O)cc1 ZINC000013490596 562969338 /nfs/dbraw/zinc/96/93/38/562969338.db2.gz VAWYRUMIUGPAEX-JOCHJYFZSA-N 0 3 484.553 2.220 10 30 in-vitro JEEEHN N#Cc1cc(OCCOCC2CC2)ccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(O)cc1 ZINC000013490595 562969342 /nfs/dbraw/zinc/96/93/42/562969342.db2.gz VAWYRUMIUGPAEX-QFIPXVFZSA-N 0 3 484.553 2.220 10 30 in-vitro JEEEHN