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-])c1cc2c(cc1N1CC[NH2+]CC1)[nH+]cnc2NCCc1ccc(Cl)cc1 ZINC000003994909 132269554 /nfs/dbraw/zinc/26/95/54/132269554.db2.gz AZIYFYFVCLBQGM-UHFFFAOYSA-N 2 2 412.881 3.256 1 5 HGBFLP