smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1c([O-])ccc(C(=O)/C=C/c2cc(O)c3c(c2)C=CC(C)(C)O3)c1[O-] ZINC000005854540 291286425 /nfs/dbraw/zinc/28/64/25/291286425.db2.gz DYPJOHFWCNIBKZ-RMKNXTFCSA-N -2 3 406.478 5.392 10 30 biogenic,in-vitro HKEEHL C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c([O-])cc([O-])c2c1occ(-c1ccc(O)cc1)c2=O ZINC000015216036 559144015 /nfs/dbraw/zinc/14/40/15/559144015.db2.gz LRYZMDSDXSWBMU-ZWKOTPCHSA-N -2 3 404.462 5.593 10 30 biogenic HKEEHL