smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC000217793056 241274260 /nfs/dbraw/zinc/27/42/60/241274260.db2.gz BINBKGLNWXHHBV-UHFFFAOYSA-N -2 3 336.329 -0.153 50 70 EBIAHL