smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc2cccc(O)c2o1 6094464 171019388 /nfs/dbraw/zinc/01/93/88/171019388.db2.gz OORAPRXPQXVOLQ-UHFFFAOYSA-N 0 2 179.131 2.047 20 5 AEBDLN