smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1c2c(cc3c([O-])c4c(=O)cc5c(c-4oc31)C=CC(C)(C)O5)C(C)(C)OC2=O ZINC000013373263 574413168 /nfs/dbraw/zinc/41/31/68/574413168.db2.gz LWJBUOOKYYTUDX-UHFFFAOYSA-N -1 3 420.417 4.444 1 5 endogenous,in-man HIBFHM CC(=O)c1c2c(cc3c(=O)c4c([O-])cc5c(c4oc31)C=CC(C)(C)O5)C(C)(C)OC2=O ZINC000013373263 574413169 /nfs/dbraw/zinc/41/31/69/574413169.db2.gz LWJBUOOKYYTUDX-UHFFFAOYSA-N -1 3 420.417 4.444 1 5 endogenous,in-man HIBFHM