smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(/C=C/C=C\c2cc[n+](C[C@@H](O)C[N+](C)(C)CCO)cc2)cc1 ZINC000012405173 520880722 /nfs/dbraw/zinc/88/07/22/520880722.db2.gz GJYPCNDYOQMPNF-AREMUKBSSA-N 2 0 425.617 2.977 10 10 IFCERP CCN(CC)c1ccc(/C=C\C=C/c2cc[n+](C[C@H](O)C[N+](C)(C)CCO)cc2)cc1 ZINC000006661937 717104821 /nfs/dbraw/zinc/10/48/21/717104821.db2.gz GJYPCNDYOQMPNF-SANMLTNESA-N 2 0 425.617 2.977 10 10 IFCERP