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-])c2c1CC=C(C)C)C[C@@H](O)C(C)(C)O4 ZINC000013382498 556503853 /nfs/dbraw/zinc/50/38/53/556503853.db2.gz KCMPFWGUVNEDHW-GOSISDBHSA-N -2 3 426.465 3.949 10 5 endogenous,in-man IHBEHL COc1c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CC=C(C)C)C[C@H](O)C(C)(C)O4 ZINC000013382497 556503871 /nfs/dbraw/zinc/50/38/71/556503871.db2.gz KCMPFWGUVNEDHW-SFHVURJKSA-N -2 3 426.465 3.949 10 5 endogenous,in-man IHBEHL