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)(C)C(=O)C(=C([O-])CC)C2=O)C(=O)C(C)(C)C1=O ZINC000103547065 291274769 /nfs/dbraw/zinc/27/47/69/291274769.db2.gz KSETWVLTQSVYLP-UHFFFAOYSA-N -3 0 418.486 4.622 1 30 biogenic,in-vitro HJEFRL