smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCCC(C)=CCc1c([O-])ccc2c1C(=O)C([O-])=C(C)C2=O ZINC000005543713 201057815 /nfs/dbraw/zinc/05/78/15/201057815.db2.gz XHKLLPVKSUHZSJ-MDWZMJQESA-N -2 3 340.419 4.838 1 30 EJEFHL