smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])/C=C/c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 ZINC000003954334 304023520 /nfs/dbraw/zinc/02/35/20/304023520.db2.gz HVUVBNCTBKJHHZ-ZZXKWVIFSA-N -1 2 314.249 2.112 40 10 in-vivo DECBLM O=C([O-])CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 ZINC000003954336 304064206 /nfs/dbraw/zinc/06/42/06/304064206.db2.gz OCMFSQMNSIPSJS-UHFFFAOYSA-N -1 2 316.265 2.032 40 10 aggregator,in-vitro DECBLM O=C([O-])/C=C\c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 ZINC000013099304 304024138 /nfs/dbraw/zinc/02/41/38/304024138.db2.gz HVUVBNCTBKJHHZ-UTCJRWHESA-N -1 2 314.249 2.112 40 10 in-vitro DECBLM