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-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CCC(C)(C)O)CCC(C)(C)O4 ZINC000013382499 291382568 /nfs/dbraw/zinc/38/25/68/291382568.db2.gz REZOIULTUMSCRT-UHFFFAOYSA-N -2 3 428.481 4.173 10 5 endogenous,in-man IIBEHL COc1c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CCC(C)(C)O)C=CC(C)(C)O4 ZINC000096023889 557163019 /nfs/dbraw/zinc/16/30/19/557163019.db2.gz BCHPGRIFQLDQCK-UHFFFAOYSA-N -2 3 426.465 4.254 10 5 IIBEHL COc1c([O-])cc2oc3cc([O-])c4c(c3c(=O)c2c1CCC(C)(C)O)OC(C)(C)CC4 ZINC000071281093 556879908 /nfs/dbraw/zinc/87/99/08/556879908.db2.gz QEERGWNVXZILOR-UHFFFAOYSA-N -2 3 428.481 4.173 10 5 endogenous,in-man IIBEHL