smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1 ZINC000088448424 462631074 /nfs/dbraw/zinc/63/10/74/462631074.db2.gz YFYZLFQXQXISAJ-UHFFFAOYSA-N 0 2 328.191 2.348 30 0 EEACLN CC(C)(C)OC(=O)c1nn(-c2cccc(Br)c2)c(=O)[nH]1 ZINC000015444297 211825824 /nfs/dbraw/zinc/82/58/24/211825824.db2.gz QMXYGGVGEMJSER-UHFFFAOYSA-N 0 2 340.177 2.278 30 0 EEACLN CCN(CC)C(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000015444156 462952494 /nfs/dbraw/zinc/95/24/94/462952494.db2.gz WDDARSVGDCCBGZ-UHFFFAOYSA-N 0 2 329.187 2.349 30 0 EEACLN