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(CN1CC(=O)[N-]C1=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160633343 526720412 /nfs/dbraw/zinc/72/04/12/526720412.db2.gz DOOXEALKWXMEDT-DTORHVGOSA-N -1 3 266.301 -1.109 20 70 CAIDHM