smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21)CCCCBr ZINC000001830040 717089950 /nfs/dbraw/zinc/08/99/50/717089950.db2.gz PBXASSYHVNCBJI-NVMNQCDNSA-N 1 0 451.881 6.878 50 50 JKGARO CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC ZINC000169743191 717157291 /nfs/dbraw/zinc/15/72/91/717157291.db2.gz XTAKDLWEWPRLGB-UHFFFAOYSA-N 1 0 460.840 7.593 50 50 JKGARO