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(Nc1ccc(C2=[NH+]CCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c([N+](=O)[O-])c1 ZINC000001668429 194130839 /nfs/dbraw/zinc/13/08/39/194130839.db2.gz WQZYYJRVBIQUGH-UHFFFAOYSA-N 2 0 497.515 2.799 40 5 in-vitro JFBBRP O=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(C(=O)Nc2cccc(C3=[NH+]CCN3)c2)c([N+](=O)[O-])c1 ZINC000001668431 194130801 /nfs/dbraw/zinc/13/08/01/194130801.db2.gz WDMOKHQVMKCZBS-UHFFFAOYSA-N 2 0 497.515 2.799 40 5 JFBBRP