smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)COc1ccc(N2C(=N)NC(=N)NC2(C)C)cc1Cl)c1ccc(S(=O)(=O)F)cc1 ZINC000043307701 563169425 /nfs/dbraw/zinc/16/94/25/563169425.db2.gz LIANKNGHGRBQJV-UHFFFAOYSA-N 0 3 496.952 2.226 1 70 JEIFHN