smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000514298188 1066241844 /nfs/dbraw/zinc/24/18/44/1066241844.db2.gz WJRUZXYYQFSVKQ-UHFFFAOYSA-N -2 0 538.648 1.933 20 0 KDADRL