smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([O-])c(Cc2ccccc2O)c([O-])c1C(=O)/C=C/c1ccccc1 ZINC000014811033 522782290 /nfs/dbraw/zinc/78/22/90/522782290.db2.gz IVKGLRZLTNXWKF-VAWYXSNFSA-N -2 1 376.408 4.299 40 30 biogenic,in-vitro GIEBML [O-]c1c(Br)cc(C=NNc2ccccc2)c([O-])c1Br ZINC000409179409 231175186 /nfs/dbraw/zinc/17/51/86/231175186.db2.gz MWELHSMEZUKOFH-FRKPEAEDSA-N -2 1 386.043 4.069 40 30 GIEBML