smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOC(C)=O ZINC000005046563 557629500 /nfs/dbraw/zinc/62/95/00/557629500.db2.gz ATROJRBLMQMZRQ-UHFFFAOYSA-N 2 0 402.620 3.386 40 5 HGBBRP COc1cc(C[N+]23CC[N+](Cc4cc(OC)cc(OC)c4)(CC2)C3)cc(OC)c1 ZINC000019319487 558867314 /nfs/dbraw/zinc/86/73/14/558867314.db2.gz UWAWKECHULPFLE-UHFFFAOYSA-N 2 0 400.519 3.040 40 5 HGBBRP