smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C1\CCN(c2ccccc2)C1=O ZINC000001484671 569057768 /nfs/dbraw/zinc/05/77/68/569057768.db2.gz VDIRQCDDCGAGET-DHZHZOJOSA-N -1 0 401.249 4.993 20 10 investigational HJCDRM