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([O-])NCC(=O)NNC(=O)Cn1cc[nH+]c1 ZINC000834202111 605470043 /nfs/dbraw/zinc/47/00/43/605470043.db2.gz PAYBFWRBOYRQCX-UHFFFAOYSA-N 0 2 241.207 -1.702 20 50 BAGDLN