smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)cc2oc3cc([O-])c4c(c3c(=O)c2c1CCC(C)(C)O)OC(C)(C)CC4 ZINC000071281093 556879903 /nfs/dbraw/zinc/87/99/03/556879903.db2.gz QEERGWNVXZILOR-UHFFFAOYSA-N -1 1 428.481 4.173 10 5 endogenous,in-man IIBEMM