smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc2cc3ccc(OCC[NH+]4CCCCC4)cc3nc2cc1OCC[NH+]1CCCCC1 ZINC000003777350 562937666 /nfs/dbraw/zinc/93/76/66/562937666.db2.gz QKPASNYRBWHSBK-UHFFFAOYSA-N 2 0 433.596 5.117 10 5 investigational IKBERP C[N+](C)(CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 ZINC000038648093 717126210 /nfs/dbraw/zinc/12/62/10/717126210.db2.gz PEOZZIYWLBMIAK-UHFFFAOYSA-N 2 0 438.744 7.441 10 5 IKBERP C[N+]1(CCCCCCCCC[N+]23CCC(CC2)[C@H](Cc2ccccc2)C3)CCCCC1 ZINC000031561873 717120015 /nfs/dbraw/zinc/12/00/15/717120015.db2.gz SSSCFRCGGKRDIV-HOMBNQQCSA-N 2 0 426.733 6.447 10 5 IKBERP C[N+]1(CCCCCCCCC[N+]23CCC(CC2)[C@@H](Cc2ccccc2)C3)CCCCC1 ZINC000031561871 717119727 /nfs/dbraw/zinc/11/97/27/717119727.db2.gz SSSCFRCGGKRDIV-QGXZNONUSA-N 2 0 426.733 6.447 10 5 IKBERP