smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=O)c([N-]S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000004244711 210150930 /nfs/dbraw/zinc/15/09/30/210150930.db2.gz NDHZKVZXPFJWIA-UHFFFAOYSA-N -1 1 335.381 2.626 30 0 EFACMM