smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c3cnc4cc5c(cc4c3n(CCNC(CO)(CO)CO)c(=O)c2cc1OC)OCO5 ZINC000029044694 563092256 /nfs/dbraw/zinc/09/22/56/563092256.db2.gz ZHQXCIQTXSVKQD-UHFFFAOYSA-N 0 1 497.504 0.754 1 5 JCBFMN COc1cc2c(cc1OC)c1nnc3cc4c(cc3c1n(CCNC(CO)(CO)CO)c2=O)OCO4 ZINC000029044697 563092286 /nfs/dbraw/zinc/09/22/86/563092286.db2.gz FGBHWIZJEJBUHZ-UHFFFAOYSA-N 0 1 498.492 0.149 1 5 JCBFMN