smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1 ZINC000067800046 205392711 /nfs/dbraw/zinc/39/27/11/205392711.db2.gz IWOBBDTUBYBPCZ-UHFFFAOYSA-N 0 0 371.280 2.501 30 0 FFACRN CCOC(=O)c1c(Br)cc(OC)c(N)c1Br ZINC000040571598 506485228 /nfs/dbraw/zinc/48/52/28/506485228.db2.gz DBZFYTCWNFLGIB-UHFFFAOYSA-N 0 0 353.010 2.979 30 0 FFACRN COC(=O)c1sc(S(=O)(=O)c2cccs2)nc1Br ZINC000015444346 220154921 /nfs/dbraw/zinc/15/49/21/220154921.db2.gz ODFVAQGQANGMJO-UHFFFAOYSA-N 0 0 368.255 2.587 30 0 FFACRN COC(=O)Cc1ccc(I)c(Br)c1 ZINC000040571530 506485561 /nfs/dbraw/zinc/48/55/61/506485561.db2.gz YSQISPDDCMZLFK-UHFFFAOYSA-N 0 0 354.969 2.769 30 0 FFACRN COC(=O)c1cc(F)c(I)c(Br)c1 ZINC000036532933 506406752 /nfs/dbraw/zinc/40/67/52/506406752.db2.gz MDCHLIXOERVCBD-UHFFFAOYSA-N 0 0 358.932 2.979 30 0 FFACRN