smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C(/CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1 ZINC000005811520 717102028 /nfs/dbraw/zinc/10/20/28/717102028.db2.gz FKEOXAFKLVUESU-QYQHSDTDSA-O 1 0 437.564 2.577 50 50 IFGARO