smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(C=[NH+]Nc2ccccc2)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059488829 569605569 /nfs/dbraw/zinc/60/55/69/569605569.db2.gz ZZAWGSMRTVBPAG-WGOQTCKBSA-N 2 2 459.506 4.092 40 30 JIEBLP