smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(C)(C)c1c(=O)cc(O)c2c(O)c3c(cc([O-])c4c3C=CC(C)(C)O4)oc1-2 ZINC000013412021 518682002 /nfs/dbraw/zinc/68/20/02/518682002.db2.gz LGKVKWVNUSOTKD-UHFFFAOYSA-N -1 2 394.423 4.711 10 30 biogenic GJEELM