smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)N=C=N[N+](C)(C)Cc1ccccc1 ZINC000017020312 717112399 /nfs/dbraw/zinc/11/23/99/717112399.db2.gz MSABSAUMTWUKGK-UHFFFAOYSA-N 1 0 232.351 3.150 40 70 BGIBRO CC[N@@H+]1CCCCC[C@@H]1CC(=O)c1ccco1 ZINC000217462389 388373782 /nfs/dbraw/zinc/37/37/82/388373782.db2.gz WNOYQFSDATVPML-GFCCVEGCSA-N 1 0 235.327 3.117 40 70 BGIBRO CC[N@@H+]1CCCCC[C@H]1CC(=O)c1ccco1 ZINC000217462453 388569524 /nfs/dbraw/zinc/56/95/24/388569524.db2.gz WNOYQFSDATVPML-LBPRGKRZSA-N 1 0 235.327 3.117 40 70 BGIBRO