smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1Cl ZINC000058701180 222056605 /nfs/dbraw/zinc/05/66/05/222056605.db2.gz FPRUEXALZLVLEK-UHFFFAOYSA-N -1 0 385.297 4.918 20 10 GJCDRM