smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1NC(=O)/C=C/CN(C)C ZINC000100460722 562807153 /nfs/dbraw/zinc/80/71/53/562807153.db2.gz OZJNFEMRGXMBKA-DHZHZOJOSA-N 0 3 527.581 3.633 10 30 KHEEHN