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)cc2c(=O)oc3c(O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c43 ZINC000033830865 556568437 /nfs/dbraw/zinc/56/84/37/556568437.db2.gz VAXNJGHUQUHOGC-ZDLAQBPYSA-N 0 2 448.336 -0.272 10 5 biogenic IBBELN