smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)cc2)CC1 ZINC000216838068 571600214 /nfs/dbraw/zinc/60/02/14/571600214.db2.gz WHNKSPRRADVGFN-UHFFFAOYSA-N -1 1 579.100 3.094 40 70 KGIBMM