smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(Br)cc1CNc1ccccc1F ZINC000072176893 211081641 /nfs/dbraw/zinc/08/16/41/211081641.db2.gz OMKDMDJEXRPXNC-UHFFFAOYSA-N -1 1 375.035 4.668 20 10 GJCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000018057671 221386412 /nfs/dbraw/zinc/38/64/12/221386412.db2.gz SDWBEIDONNNUHM-GHVJWSGMSA-N -1 1 394.456 4.861 20 10 GJCDMM