smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCCNC(=O)c1ccc(C(=O)NCCCCC[N+](C)(C)C)cc1 ZINC000575442826 569027981 /nfs/dbraw/zinc/02/79/81/569027981.db2.gz DUSJERBGADZBLB-UHFFFAOYSA-P 2 0 420.642 2.899 50 5 HFBARP