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)cc2oc3cc([O-])c(O)c(CC=C(C)C)c3c([O-])c-2c1[O-] ZINC000005195818 560111135 /nfs/dbraw/zinc/11/11/35/560111135.db2.gz VEZXFTKZUMARDU-UHFFFAOYSA-N -3 3 396.439 4.786 40 10 endogenous,in-man GJCBHL CC(C)=CCc1c([O-])c(O)c2oc3c(O)ccc(=O)c-3c([O-])c2c1CC=C(C)C ZINC000014727662 207026763 /nfs/dbraw/zinc/02/67/63/207026763.db2.gz SHZLJVCQGYKZLS-UHFFFAOYSA-N -2 3 396.439 4.786 40 10 biogenic,in-vitro GJCBHL