smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNC(=O)c1cc(C#N)c(Cl)cc1OC ZINC000136977733 355868877 /nfs/dbraw/zinc/86/88/77/355868877.db2.gz JEMKCYHUYUPGFN-UHFFFAOYSA-N 1 0 309.797 2.292 30 0 investigational DEACRO