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](Cl)C[N@+](C)(Cc1ccccc1[N+](=O)[O-])C[C@H](C)Cl ZINC000253633327 717166435 /nfs/dbraw/zinc/16/64/35/717166435.db2.gz KRYAAKUROZUYRW-FVGIMDHTSA-N 1 0 320.240 3.796 1 50 DHGFRO C[N+](C)(C)c1ccc(NC(=O)CCCSCCCl)cc1 ZINC000001559212 717088535 /nfs/dbraw/zinc/08/85/35/717088535.db2.gz ZQKCOTJJWDRFDB-UHFFFAOYSA-O 1 0 315.890 3.574 1 50 DHGFRO