smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)[O-] ZINC000001491474 717088603 /nfs/dbraw/zinc/08/86/03/717088603.db2.gz GSKQMLGAUOTSKT-LBPRGKRZSA-N 0 0 321.204 1.924 50 50 investigational DDGARN [NH3+][C@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)[O-] ZINC000139308519 717151984 /nfs/dbraw/zinc/15/19/84/717151984.db2.gz GSKQMLGAUOTSKT-GFCCVEGCSA-N 0 0 321.204 1.924 50 50 DDGARN