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-])c1cccc2cccc(-c3c4ccc(=O)c(O)c-4oc4c(O)c(O)ccc43)c21 ZINC000005030634 551065500 /nfs/dbraw/zinc/06/55/00/551065500.db2.gz NYLLADZYPUKUTH-UHFFFAOYSA-N -1 2 414.369 4.533 40 10 HJCBLM