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-])c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000027643047 563048209 /nfs/dbraw/zinc/04/82/09/563048209.db2.gz UWRGNXFDDJKACU-UHFFFAOYSA-N 3 1 497.043 4.396 1 5 JIBFMP