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)=CCc1c(O)c2c(O)c3c(O)ccc(O)c3oc-2c(CC=C(C)C)c1=O ZINC000005854400 574412623 /nfs/dbraw/zinc/41/26/23/574412623.db2.gz OJXQLGQIDIPMTE-UHFFFAOYSA-N -3 2 396.439 4.786 50 5 endogenous,in-man GJBALL