smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1=C([O-])C(CC2=C([O-])C(C(=O)CC)=C(O)C(C)(C)C2=O)=C(O)C(C)(C)C1=O ZINC000103547065 291274770 /nfs/dbraw/zinc/27/47/70/291274770.db2.gz KSETWVLTQSVYLP-UHFFFAOYSA-N -2 2 418.486 4.622 1 30 biogenic,in-vitro HJEFLL