smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O)c(C(=O)C=C(O)c2ccc(C(C)(C)C)cc2)c1 ZINC000004637985 181130714 /nfs/dbraw/zinc/13/07/14/181130714.db2.gz HNCMBEUSZKMONR-UHFFFAOYSA-N -2 2 310.393 4.454 50 0 DIAALL