smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@@H]3C)cc2)cc1 ZINC000253712558 717168316 /nfs/dbraw/zinc/16/83/16/717168316.db2.gz VZVYOTUPBUMWMH-SADWXVNCSA-N 2 0 434.624 4.977 10 30 IJEERP C[C@@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 ZINC000253712546 717168292 /nfs/dbraw/zinc/16/82/92/717168292.db2.gz VZVYOTUPBUMWMH-IKTNGCAPSA-N 2 0 434.624 4.977 10 30 IJEERP C[C@@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@+]3(C)CCC[C@H]3C)cc2)cc1 ZINC000253712563 717168391 /nfs/dbraw/zinc/16/83/91/717168391.db2.gz VZVYOTUPBUMWMH-UIIUTPAESA-N 2 0 434.624 4.977 10 30 IJEERP C[C@@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@+]3(C)CCC[C@@H]3C)cc2)cc1 ZINC000253712551 717168369 /nfs/dbraw/zinc/16/83/69/717168369.db2.gz VZVYOTUPBUMWMH-NXKSUSBYSA-N 2 0 434.624 4.977 10 30 IJEERP