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)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O ZINC000005849312 574412595 /nfs/dbraw/zinc/41/25/95/574412595.db2.gz GVQOVMKBYJKZSY-UHFFFAOYSA-N -2 2 380.440 5.080 40 5 endogenous,in-man GKBBLL