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-])c1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3O)nc2c1 ZINC000073198634 191291876 /nfs/dbraw/zinc/29/18/76/191291876.db2.gz PFWOLAVCSMAJKH-UHFFFAOYSA-N 0 2 324.123 4.151 1 5 DIBFLN