smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 ZINC000524439106 1071145980 /nfs/dbraw/zinc/14/59/80/1071145980.db2.gz HEUFVUJPQUWNNK-UHFFFAOYSA-N 1 1 500.002 5.402 20 30 KKEDMO