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)(Nc1nccs1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000436478135 450603320 /nfs/dbraw/zinc/60/33/20/450603320.db2.gz OZLCMEULJWAPOE-UHFFFAOYSA-N -1 2 445.931 3.104 20 0 IGADLM O=c1[nH]nc(-c2cc(NS(=O)(=O)c3cccc(Cl)c3[O-])cc(C(F)(F)F)c2)[nH]1 ZINC000550105537 450602910 /nfs/dbraw/zinc/60/29/10/450602910.db2.gz LILXDUYAVKYVSY-UHFFFAOYSA-N -1 2 434.783 3.356 20 0 IGADLM