smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCCn1c(=O)c(=Cc2cc(Br)c(O)c(Br)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514296027 1066232352 /nfs/dbraw/zinc/23/23/52/1066232352.db2.gz FGAPKKIVPPCROG-UHFFFAOYSA-N 0 2 601.317 1.929 20 30 KDEDLN