smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C=Cc2cc(C(=O)C=C(O)c3ccc(O)cc3)c(O)cc2O1 ZINC000102943558 219242086 /nfs/dbraw/zinc/24/20/86/219242086.db2.gz KXBWVUQZNQMUBZ-UHFFFAOYSA-N -2 2 338.359 3.738 1 0 EHAFLL