smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNCOc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625579 291205672 /nfs/dbraw/zinc/20/56/72/291205672.db2.gz NROYBVVPOXQXNS-QGZVFWFLSA-N 0 1 419.474 2.253 1 10 biogenic,in-vitro HECFMN