smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21)NCc1ccco1 ZINC000000883668 551556115 /nfs/dbraw/zinc/55/61/15/551556115.db2.gz YVFDPAXICLMQTK-CIAFOILYSA-N 0 1 502.527 3.521 40 10 KHCBMN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC ZINC000009232425 553223676 /nfs/dbraw/zinc/22/36/76/553223676.db2.gz RVAZMIXTADPZIO-OQLLNIDSSA-N 0 1 513.018 3.898 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCC ZINC000009259645 553228002 /nfs/dbraw/zinc/22/80/02/553228002.db2.gz WPLLXIISCOKKPO-GDNBJRDFSA-N 0 1 512.344 3.883 40 10 KHCBMN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=Cc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000016282428 553558503 /nfs/dbraw/zinc/55/85/03/553558503.db2.gz HYPSXSLGNWWVRX-YBEGLDIGSA-N 0 1 515.751 3.762 40 10 KHCBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000034105914 1066880998 /nfs/dbraw/zinc/88/09/98/1066880998.db2.gz LFNIPDCBARDEGD-BKUYFWCQSA-N 0 1 519.514 3.934 40 10 KHCBMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000059104399 554379708 /nfs/dbraw/zinc/37/97/08/554379708.db2.gz FTZOFTUPYALHMP-MOSHPQCFSA-N 0 1 508.987 3.825 40 10 KHCBMN CCOc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000059104819 554380066 /nfs/dbraw/zinc/38/00/66/554380066.db2.gz PCBOTYSFIBCWLB-JCMHNJIXSA-N 0 1 518.595 3.570 40 10 KHCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)o2)cc1 ZINC000059594732 554408031 /nfs/dbraw/zinc/40/80/31/554408031.db2.gz VMFUVFPPALETGF-CPNJWEJPSA-N 0 1 506.536 3.972 40 10 KHCBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 ZINC000059595320 554408007 /nfs/dbraw/zinc/40/80/07/554408007.db2.gz YYXKVTPTEZWEQE-FYJGNVAPSA-N 0 1 519.579 3.729 40 10 KHCBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)c1 ZINC000059595426 554407961 /nfs/dbraw/zinc/40/79/61/554407961.db2.gz YXFNLQYXADALEU-FYJGNVAPSA-N 0 1 519.579 3.729 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)NC2=S)c(OC)c1 ZINC000059595704 554408253 /nfs/dbraw/zinc/40/82/53/554408253.db2.gz DEWPQYUTZNYTBC-GZTJUZNOSA-N 0 1 509.496 3.712 40 10 KHCBMN COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCc3ccccc3)CC2)cc1 ZINC000097986808 554025783 /nfs/dbraw/zinc/02/57/83/554025783.db2.gz DHYZJKSYRYYNIF-UHFFFAOYSA-N 0 1 593.732 3.557 40 10 KHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 ZINC000100115141 554222876 /nfs/dbraw/zinc/22/28/76/554222876.db2.gz SQNBRUYTYSMBFZ-FYJGNVAPSA-N 0 1 553.413 3.948 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O ZINC000100194906 554245860 /nfs/dbraw/zinc/24/58/60/554245860.db2.gz VRIDCJLVUZMYIJ-SDQBBNPISA-N 0 1 512.179 3.757 40 10 KHCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000100222162 554252083 /nfs/dbraw/zinc/25/20/83/554252083.db2.gz AGWZJGYBMWFNLR-WQLSENKSSA-N 0 1 526.327 3.669 40 10 KHCBMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)c(I)c3)C(=O)NC2=S)cc1 ZINC000100233185 554257515 /nfs/dbraw/zinc/25/75/15/554257515.db2.gz RVYGXLOWAUGZDG-WJDWOHSUSA-N 0 1 522.364 3.920 40 10 KHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000100293810 554286021 /nfs/dbraw/zinc/28/60/21/554286021.db2.gz NLEAANCYXBMBNT-MDWZMJQESA-N 0 1 543.180 3.894 40 10 KHCBMN COc1cc(Br)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1O ZINC000100318664 554303886 /nfs/dbraw/zinc/30/38/86/554303886.db2.gz WZAJMIQLCSIOJD-MLPAPPSSSA-N 0 1 512.179 3.757 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OC ZINC000100320964 554305183 /nfs/dbraw/zinc/30/51/83/554305183.db2.gz OJAHCUNOZBQKIK-NTUHNPAUSA-N 0 1 573.206 3.902 40 10 KHCBMN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=Cc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000100947794 554536246 /nfs/dbraw/zinc/53/62/46/554536246.db2.gz HYPSXSLGNWWVRX-MHWRWJLKSA-N 0 1 515.751 3.762 40 10 KHCBMN COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccc(C)cc3)CC2)cc1 ZINC000101531178 554794782 /nfs/dbraw/zinc/79/47/82/554794782.db2.gz RYYQUTSAOHZMFA-UHFFFAOYSA-N 0 1 593.732 3.671 40 10 KHCBMN COc1ccc(N2CCN(CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccc(F)cc3)CC2)cc1 ZINC000101531485 554794733 /nfs/dbraw/zinc/79/47/33/554794733.db2.gz MJHQXPOTJXIJPF-UHFFFAOYSA-N 0 1 597.695 3.501 40 10 KHCBMN Cc1c(NC=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000103221319 1066885285 /nfs/dbraw/zinc/88/52/85/1066885285.db2.gz WZFUYXQLAISQAB-ATVHPVEESA-N 0 1 501.490 3.658 40 10 KHCBMN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3ccccc3Cl)CC2)c(O)c(OC)c1 ZINC000103538127 555437133 /nfs/dbraw/zinc/43/71/33/555437133.db2.gz WFFQDNZLNVKWOD-UHFFFAOYSA-N 0 1 556.059 3.957 40 10 KHCBMN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)o3)sc2c1 ZINC000103757690 555470304 /nfs/dbraw/zinc/47/03/04/555470304.db2.gz FFLLWVPUHHECSA-UHFFFAOYSA-N 0 1 516.516 3.591 40 10 KHCBMN O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(CCCO)CC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000103761631 555471700 /nfs/dbraw/zinc/47/17/00/555471700.db2.gz QWBPJTCGHVBEIP-UHFFFAOYSA-N 0 1 571.659 3.848 40 10 KHCBMN O=C1NC(=O)C(=Cc2ccc(Sc3nnc(COc4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N1 ZINC000103767254 555473769 /nfs/dbraw/zinc/47/37/69/555473769.db2.gz ANNJVUMCQJBGHT-UHFFFAOYSA-N 0 1 542.533 3.655 40 10 KHCBMN O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000103806020 555482038 /nfs/dbraw/zinc/48/20/38/555482038.db2.gz DSJRGTCQKVDASN-UHFFFAOYSA-N 0 1 571.552 3.906 40 10 KHCBMN O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21)N1CCOCC1 ZINC000103844263 571362972 /nfs/dbraw/zinc/36/29/72/571362972.db2.gz FDICFZAOKLDEDR-WQRHYEAKSA-N 0 1 543.432 3.638 40 10 KHCBMN CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000103851265 571364971 /nfs/dbraw/zinc/36/49/71/571364971.db2.gz BBYUWOUWSSWIJI-UXBLZVDNSA-N 0 1 607.186 3.908 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Br)c1O ZINC000103851428 571364925 /nfs/dbraw/zinc/36/49/25/571364925.db2.gz VJWCKCWMYVYOCP-RMKNXTFCSA-N 0 1 530.169 3.896 40 10 KHCBMN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000103851615 571364922 /nfs/dbraw/zinc/36/49/22/571364922.db2.gz PCSMBCLSORKMBS-IZZDOVSWSA-N 0 1 572.206 3.734 40 10 KHCBMN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000103851731 571365183 /nfs/dbraw/zinc/36/51/83/571365183.db2.gz DRIXYJVJUSZXPZ-IZZDOVSWSA-N 0 1 527.755 3.625 40 10 KHCBMN COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000103851958 571365162 /nfs/dbraw/zinc/36/51/62/571365162.db2.gz XGYNSWONXZFFPI-UXBLZVDNSA-N 0 1 608.170 3.875 40 10 KHCBMN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000103852682 571365650 /nfs/dbraw/zinc/36/56/50/571365650.db2.gz LPFUAERHIYZSMA-NTEUORMPSA-N 0 1 551.390 3.760 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OC ZINC000103852689 571365640 /nfs/dbraw/zinc/36/56/40/571365640.db2.gz ZMQHEATUYWBPIR-XYOKQWHBSA-N 0 1 526.327 3.669 40 10 KHCBMN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000103852723 571365660 /nfs/dbraw/zinc/36/56/60/571365660.db2.gz KMWBSABOQCVWMP-NTEUORMPSA-N 0 1 598.390 3.602 40 10 KHCBMN CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000103852822 571365594 /nfs/dbraw/zinc/36/55/94/571365594.db2.gz QLAMWXHUDQTOOB-NTEUORMPSA-N 0 1 551.390 3.760 40 10 KHCBMN CCOC(=O)C(C(=O)C(=O)Nc1nc2ccccc2s1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000103860128 571367390 /nfs/dbraw/zinc/36/73/90/571367390.db2.gz IYCDLYGOBNKLBL-FQEVSTJZSA-N 0 1 566.551 3.575 40 10 KHCBMN CCOC(=O)C(C(=O)C(=O)Nc1nc2ccccc2s1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000103860132 571367370 /nfs/dbraw/zinc/36/73/70/571367370.db2.gz IYCDLYGOBNKLBL-HXUWFJFHSA-N 0 1 566.551 3.575 40 10 KHCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(I)cc1 ZINC000103860226 571367377 /nfs/dbraw/zinc/36/73/77/571367377.db2.gz SMUKLGQTUJCHRV-NTEUORMPSA-N 0 1 513.154 3.885 40 10 KHCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000103860333 571367397 /nfs/dbraw/zinc/36/73/97/571367397.db2.gz FUOQMHSWSRWTQS-KPKJPENVSA-N 0 1 529.153 3.591 40 10 KHCBMN CCOC(=O)[C@H](C(=O)C(=O)Nc1cccc(Cl)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000104436857 571381006 /nfs/dbraw/zinc/38/10/06/571381006.db2.gz DBFJSFCMUNLLAG-FQEVSTJZSA-N 0 1 543.919 3.619 40 10 KHCBMN CCOC(=O)C(C(=O)C(=O)Nc1cccc(Cl)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000104436857 571381005 /nfs/dbraw/zinc/38/10/05/571381005.db2.gz DBFJSFCMUNLLAG-FQEVSTJZSA-N 0 1 543.919 3.619 40 10 KHCBMN CCOC(=O)[C@@H](C(=O)C(=O)Nc1cccc(Cl)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000104436860 571381034 /nfs/dbraw/zinc/38/10/34/571381034.db2.gz DBFJSFCMUNLLAG-HXUWFJFHSA-N 0 1 543.919 3.619 40 10 KHCBMN CCOC(=O)C(C(=O)C(=O)Nc1cccc(Cl)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000104436860 571381033 /nfs/dbraw/zinc/38/10/33/571381033.db2.gz DBFJSFCMUNLLAG-HXUWFJFHSA-N 0 1 543.919 3.619 40 10 KHCBMN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(I)c(O)c(I)c1 ZINC000104660400 571385004 /nfs/dbraw/zinc/38/50/04/571385004.db2.gz WYUIANLPBPPSRP-UHFFFAOYSA-N 0 1 540.091 3.745 40 10 KHCBMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)C1=O ZINC000104882511 571387160 /nfs/dbraw/zinc/38/71/60/571387160.db2.gz OLGOQJKRJSNZAS-GIJQJNRQSA-N 0 1 526.343 3.693 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105499586 571406207 /nfs/dbraw/zinc/40/62/07/571406207.db2.gz NVEXMNWHYCTTRL-XQJRBFNUSA-N 0 1 576.900 3.986 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105499591 571406230 /nfs/dbraw/zinc/40/62/30/571406230.db2.gz NVEXMNWHYCTTRL-RZXXJPOTSA-N 0 1 576.900 3.986 40 10 KHCBMN CCN1C(=O)/C(=C/c2cc(I)c(O)c(I)c2)SC1=S ZINC000110514933 571431441 /nfs/dbraw/zinc/43/14/41/571431441.db2.gz FKMDJRZXFRGWRV-UITAMQMPSA-N 0 1 517.151 3.823 40 10 KHCBMN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(c1ccc2c(c1)NS(=O)(=O)c1ccccc1-2)[C@H](C(=O)NC1CCCC1)c1ccc(O)c(O)c1 ZINC000150387018 571469686 /nfs/dbraw/zinc/46/96/86/571469686.db2.gz KGCFHYFJMUXILO-YTTGMZPUSA-N 0 1 702.767 3.857 40 10 KHCBMN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(c1ccc2c(c1)NS(=O)(=O)c1ccccc1-2)[C@@H](C(=O)NC1CCCC1)c1ccc(O)c(O)c1 ZINC000150387019 571469712 /nfs/dbraw/zinc/46/97/12/571469712.db2.gz KGCFHYFJMUXILO-JGCGQSQUSA-N 0 1 702.767 3.857 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150470400 571509377 /nfs/dbraw/zinc/50/93/77/571509377.db2.gz HYLUSWAKLQMGOU-JAORQVBISA-N 0 1 715.351 3.779 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150470404 571509291 /nfs/dbraw/zinc/50/92/91/571509291.db2.gz HYLUSWAKLQMGOU-JCAJYURWSA-N 0 1 715.351 3.779 40 10 KHCBMN COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000164395961 571546960 /nfs/dbraw/zinc/54/69/60/571546960.db2.gz JSLSQEYRTAHWLL-IZZDOVSWSA-N 0 1 619.206 3.576 40 10 KHCBMN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000164396084 571547000 /nfs/dbraw/zinc/54/70/00/571547000.db2.gz HBVAHUDMKJZGFN-KPKJPENVSA-N 0 1 633.233 3.966 40 10 KHCBMN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000164399941 571547257 /nfs/dbraw/zinc/54/72/57/571547257.db2.gz SIMSZRHSEFBBOI-KPKJPENVSA-N 0 1 680.233 3.808 40 10 KHCBMN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000222691854 571385050 /nfs/dbraw/zinc/38/50/50/571385050.db2.gz CRCFXHRGCWBSNR-UHFFFAOYSA-N 0 1 520.699 3.951 40 10 KHCBMN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)cc2)S(C)(=O)=O)c1 ZINC000223610498 571513261 /nfs/dbraw/zinc/51/32/61/571513261.db2.gz NCBNRRGLYMPFGR-UHFFFAOYSA-N 0 1 520.699 3.951 40 10 KHCBMN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1OC ZINC000225479538 571850002 /nfs/dbraw/zinc/85/00/02/571850002.db2.gz OYMBHCXWMNSWLE-MOHJPFBDSA-N 0 1 520.655 3.604 40 10 KHCBMN CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)cc2)CC1 ZINC000225794183 572069960 /nfs/dbraw/zinc/06/99/60/572069960.db2.gz JWHOGSOFECJAMV-UHFFFAOYSA-N 0 1 543.114 3.995 40 10 KHCBMN CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)cc2)CC1 ZINC000225807419 572073046 /nfs/dbraw/zinc/07/30/46/572073046.db2.gz ACDPQIZOCRCBMU-UHFFFAOYSA-N 0 1 543.114 3.995 40 10 KHCBMN Cc1ccc(O)c(CN2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c1 ZINC000257218968 572308299 /nfs/dbraw/zinc/30/82/99/572308299.db2.gz DFBAFBBPUWHETD-MUUNZHRXSA-N 0 1 517.066 3.994 40 10 KHCBMN Cc1ccc(O)c(CN2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)c1 ZINC000257218969 572308304 /nfs/dbraw/zinc/30/83/04/572308304.db2.gz DFBAFBBPUWHETD-NDEPHWFRSA-N 0 1 517.066 3.994 40 10 KHCBMN CC1=NN(c2ccc(Br)cc2C)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408526128 572156918 /nfs/dbraw/zinc/15/69/18/572156918.db2.gz AAOJXFOSOVHCIX-LGMDPLHJSA-N 0 1 524.423 3.810 40 10 KHCBMN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C ZINC000408527673 572161385 /nfs/dbraw/zinc/16/13/85/572161385.db2.gz GEXLWOULUKEDBA-CYVLTUHYSA-N 0 1 566.504 3.727 40 10 KHCBMN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCN(C)CC1 ZINC000408532451 572179616 /nfs/dbraw/zinc/17/96/16/572179616.db2.gz MTFUCEZJGUUIAG-LGMDPLHJSA-N 0 1 510.396 3.501 40 10 KHCBMN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=CNc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C ZINC000408532962 572181531 /nfs/dbraw/zinc/18/15/31/572181531.db2.gz NLGXMDYMTAJVSR-VKAVYKQESA-N 0 1 528.444 3.654 40 10 KHCBMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000408536984 572192904 /nfs/dbraw/zinc/19/29/04/572192904.db2.gz YQMZEYAPCGQGGJ-CAPFRKAQSA-N 0 1 569.437 3.867 40 10 KHCBMN CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C ZINC000408537340 572194278 /nfs/dbraw/zinc/19/42/78/572194278.db2.gz ZZPIQHCSTAVLOD-PYCFMQQDSA-N 0 1 509.614 3.501 40 10 KHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(I)cc1 ZINC000408550643 572234692 /nfs/dbraw/zinc/23/46/92/572234692.db2.gz IQZBECZXJQFJAI-WQLSENKSSA-N 0 1 501.708 3.827 40 10 KHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccccc1I ZINC000408550946 572235038 /nfs/dbraw/zinc/23/50/38/572235038.db2.gz KWDDJENNXPXZGZ-NTMALXAHSA-N 0 1 501.708 3.827 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551694 572236770 /nfs/dbraw/zinc/23/67/70/572236770.db2.gz LZWWCUZMRVDFGW-UHFFFAOYSA-N 0 1 557.184 3.922 40 10 KHCBMN O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551845 572236826 /nfs/dbraw/zinc/23/68/26/572236826.db2.gz GNLIOMZQHCADRD-UHFFFAOYSA-N 0 1 513.131 3.523 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408551880 572237360 /nfs/dbraw/zinc/23/73/60/572237360.db2.gz NEKMQYIBCIQGGD-UHFFFAOYSA-N 0 1 604.184 3.764 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552145 572237701 /nfs/dbraw/zinc/23/77/01/572237701.db2.gz OPQXDNUXUDATFI-UHFFFAOYSA-N 0 1 512.733 3.812 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552471 572238183 /nfs/dbraw/zinc/23/81/83/572238183.db2.gz ITCKFHQHQKRUCV-UHFFFAOYSA-N 0 1 543.157 3.531 40 10 KHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc(I)c1 ZINC000408552693 572239039 /nfs/dbraw/zinc/23/90/39/572239039.db2.gz USXXADKISXCTTA-WQLSENKSSA-N 0 1 501.708 3.827 40 10 KHCBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1I ZINC000408553066 572239903 /nfs/dbraw/zinc/23/99/03/572239903.db2.gz WQWNHQPNXAGDMV-UKTHLTGXSA-N 0 1 513.154 3.885 40 10 KHCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1I ZINC000408553138 572239791 /nfs/dbraw/zinc/23/97/91/572239791.db2.gz XWBSTUFZUSAIRV-MDWZMJQESA-N 0 1 513.154 3.885 40 10 KHCBMN O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408555338 572242776 /nfs/dbraw/zinc/24/27/76/572242776.db2.gz XBIRXXYAZGDIBC-UHFFFAOYSA-N 0 1 513.131 3.523 40 10 KHCBMN C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)N1CCOCC1 ZINC000408591540 572268262 /nfs/dbraw/zinc/26/82/62/572268262.db2.gz IREYPURXRHSNTA-GOSISDBHSA-N 0 1 529.014 3.998 40 10 KHCBMN C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1)C(=O)N1CCOCC1 ZINC000408591543 572268257 /nfs/dbraw/zinc/26/82/57/572268257.db2.gz IREYPURXRHSNTA-SFHVURJKSA-N 0 1 529.014 3.998 40 10 KHCBMN COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)C(=O)[O-])o2)c1 ZINC000408631081 572286929 /nfs/dbraw/zinc/28/69/29/572286929.db2.gz BVOIOCDWQBQZKH-SRZZPIQSSA-N 0 1 527.559 3.632 40 10 KHCBMN CCn1c(S/C(=C/c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408635109 572292169 /nfs/dbraw/zinc/29/21/69/572292169.db2.gz YWGDGXGOBWDVRW-YDZHTSKRSA-N 0 1 554.629 3.860 40 10 KHCBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCOCC1 ZINC000408693094 1066545069 /nfs/dbraw/zinc/54/50/69/1066545069.db2.gz GSWDKULMWJCESY-UHFFFAOYSA-N 0 1 514.987 3.853 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000408693882 1066544412 /nfs/dbraw/zinc/54/44/12/1066544412.db2.gz ALPNRSJNDPYQTE-WOJGMQOQSA-N 0 1 542.386 3.880 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408693891 1066544448 /nfs/dbraw/zinc/54/44/48/1066544448.db2.gz AQSMZAZJPXLUAK-WOJGMQOQSA-N 0 1 589.386 3.722 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OC(C)C ZINC000408694228 1066543629 /nfs/dbraw/zinc/54/36/29/1066543629.db2.gz GLGOBSHXCZNNRP-OQLLNIDSSA-N 0 1 512.344 3.882 40 10 KHCBMN CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000408694483 1066543806 /nfs/dbraw/zinc/54/38/06/1066543806.db2.gz ILFFGIPYEPCUOM-DGGAMASNSA-N 0 1 512.344 3.882 40 10 KHCBMN CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000408694484 1066543421 /nfs/dbraw/zinc/54/34/21/1066543421.db2.gz ILFFGIPYEPCUOM-KMHUVPDISA-N 0 1 512.344 3.882 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)c(Br)c1O ZINC000408694697 1066543384 /nfs/dbraw/zinc/54/33/84/1066543384.db2.gz LPGOAEBKJAMGDM-YRNVUSSQSA-N 0 1 502.159 3.720 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000408694890 1066543293 /nfs/dbraw/zinc/54/32/93/1066543293.db2.gz NRIKSPKRJNCDNU-WOJGMQOQSA-N 0 1 542.386 3.880 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408695386 1066542797 /nfs/dbraw/zinc/54/27/97/1066542797.db2.gz SWPKEPVGAOMKBU-VCHYOVAHSA-N 0 1 607.376 3.861 40 10 KHCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br)Nc1ccccc1 ZINC000408695441 1066542877 /nfs/dbraw/zinc/54/28/77/1066542877.db2.gz UWTXDTLPVJFHIF-LDADJPATSA-N 0 1 512.360 3.871 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408695672 1066542283 /nfs/dbraw/zinc/54/22/83/1066542283.db2.gz XGHNZAAKRPXZBD-VCHYOVAHSA-N 0 1 515.925 3.910 40 10 KHCBMN COc1cc(I)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408721832 1066557643 /nfs/dbraw/zinc/55/76/43/1066557643.db2.gz AAHUWQLRUKQRMN-AWNIVKPZSA-N 0 1 528.755 3.793 40 10 KHCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)c(O)cc1O ZINC000408722719 1066557396 /nfs/dbraw/zinc/55/73/96/1066557396.db2.gz MQOXKANEXONXBX-YCRREMRBSA-N 0 1 535.146 3.841 40 10 KHCBMN COc1cc(I)c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408723264 1066557603 /nfs/dbraw/zinc/55/76/03/1066557603.db2.gz SKFRLSYOYAYZJZ-NTUHNPAUSA-N 0 1 528.755 3.793 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000408723431 1066556736 /nfs/dbraw/zinc/55/67/36/1066556736.db2.gz UOVRNJDBFUFXEU-AWNIVKPZSA-N 0 1 528.755 3.793 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408724807 1066556957 /nfs/dbraw/zinc/55/69/57/1066556957.db2.gz CPTSQHLORAVZBO-PRWBYUBPSA-N 0 1 668.351 3.937 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408724809 1066557015 /nfs/dbraw/zinc/55/70/15/1066557015.db2.gz CPTSQHLORAVZBO-SRKIZSPNSA-N 0 1 668.351 3.937 40 10 KHCBMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@H]1c1ccc(N(C)C)cc1 ZINC000408730047 1066561140 /nfs/dbraw/zinc/56/11/40/1066561140.db2.gz DUKAODXIBISOQP-RZXXJPOTSA-N 0 1 532.449 3.986 40 10 KHCBMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000408730048 1066561099 /nfs/dbraw/zinc/56/10/99/1066561099.db2.gz DUKAODXIBISOQP-XQJRBFNUSA-N 0 1 532.449 3.986 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408735241 1066558681 /nfs/dbraw/zinc/55/86/81/1066558681.db2.gz MUIWRKXRRPIGSI-UHFFFAOYSA-N 0 1 528.302 3.781 40 10 KHCBMN COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] ZINC000408740022 1066564681 /nfs/dbraw/zinc/56/46/81/1066564681.db2.gz CNFGJIOMYDELJR-LFYBBSHMSA-N 0 1 541.177 3.960 40 10 KHCBMN CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1I ZINC000408741093 1066564152 /nfs/dbraw/zinc/56/41/52/1066564152.db2.gz KCJUQAKQNRHHCA-KPKJPENVSA-N 0 1 589.196 3.769 40 10 KHCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408741106 1066564335 /nfs/dbraw/zinc/56/43/35/1066564335.db2.gz KDVJJZDIJCFZBM-DHDCSXOGSA-N 0 1 522.364 3.838 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(I)c1OC ZINC000408741466 1066564181 /nfs/dbraw/zinc/56/41/81/1066564181.db2.gz MDHZRENKLVBZLJ-AWNIVKPZSA-N 0 1 573.206 3.902 40 10 KHCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(I)cc1 ZINC000408741691 1066564116 /nfs/dbraw/zinc/56/41/16/1066564116.db2.gz NGNKJJBJLXGDJA-RIYZIHGNSA-N 0 1 513.154 3.885 40 10 KHCBMN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408741854 1066564278 /nfs/dbraw/zinc/56/42/78/1066564278.db2.gz ODHITAOKDXPFHP-QPEQYQDCSA-N 0 1 506.334 3.514 40 10 KHCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)NC1=S ZINC000408742176 1066563560 /nfs/dbraw/zinc/56/35/60/1066563560.db2.gz PZEMELGOVUGGEE-YRNVUSSQSA-N 0 1 517.142 3.786 40 10 KHCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(I)c3)C(=O)NC2=S)c1 ZINC000408743039 1066563460 /nfs/dbraw/zinc/56/34/60/1066563460.db2.gz YUKIGIVQYHPQCW-OQLLNIDSSA-N 0 1 508.337 3.530 40 10 KHCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408744030 1066563482 /nfs/dbraw/zinc/56/34/82/1066563482.db2.gz YEXKJHYVQZAGCU-VGOFMYFVSA-N 0 1 506.334 3.596 40 10 KHCBMN COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] ZINC000408744094 1066563727 /nfs/dbraw/zinc/56/37/27/1066563727.db2.gz YQVTWSKGPLRVJO-LFYBBSHMSA-N 0 1 588.177 3.802 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000408752382 1066567146 /nfs/dbraw/zinc/56/71/46/1066567146.db2.gz AGWPAFLHPQJILD-QNGOZBTKSA-N 0 1 508.577 3.603 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408752615 1066567048 /nfs/dbraw/zinc/56/70/48/1066567048.db2.gz FHZJYKTTYCYKOK-ODLFYWEKSA-N 0 1 648.469 3.974 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408753955 1066566545 /nfs/dbraw/zinc/56/65/45/1066566545.db2.gz CPRMVLSZUPHQDQ-NDENLUEZSA-N 0 1 618.443 3.965 40 10 KHCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408754262 1066566417 /nfs/dbraw/zinc/56/64/17/1066566417.db2.gz JRVBUWQJHHGXGH-DHDCSXOGSA-N 0 1 538.363 3.538 40 10 KHCBMN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000408754358 1066565915 /nfs/dbraw/zinc/56/59/15/1066565915.db2.gz JXIOOHCAHFHCMD-HAHDFKILSA-N 0 1 517.563 3.553 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1 ZINC000408754751 1066565770 /nfs/dbraw/zinc/56/57/70/1066565770.db2.gz HZSMTEDVGPLCGT-HAHDFKILSA-N 0 1 501.564 3.852 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OC ZINC000408754878 1066565803 /nfs/dbraw/zinc/56/58/03/1066565803.db2.gz SLTKCFVERKLVGB-DHDCSXOGSA-N 0 1 538.363 3.538 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408755496 1066565932 /nfs/dbraw/zinc/56/59/32/1066565932.db2.gz OAUNCKTWMZXSCV-STZFKDTASA-N 0 1 538.603 3.611 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)NC2=S)cc1 ZINC000408755754 1066565355 /nfs/dbraw/zinc/56/53/55/1066565355.db2.gz PDYBUGHXQFZVTN-BKUYFWCQSA-N 0 1 503.492 3.654 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)NC2=S)cc1 ZINC000408756507 1066565215 /nfs/dbraw/zinc/56/52/15/1066565215.db2.gz VUUCTKUAYBYUNW-JCMHNJIXSA-N 0 1 508.577 3.603 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408757196 1066564845 /nfs/dbraw/zinc/56/48/45/1066564845.db2.gz VVACJNYEHLBRFI-UNOMPAQXSA-N 0 1 618.443 3.965 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC ZINC000408757907 1066568975 /nfs/dbraw/zinc/56/89/75/1066568975.db2.gz DPFNMDFTDIJKOH-YBEGLDIGSA-N 0 1 552.390 3.929 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC(C)=O)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408758561 1066568373 /nfs/dbraw/zinc/56/83/73/1066568373.db2.gz MQOVDKULICPKPT-AUWJEWJLSA-N 0 1 554.216 3.977 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408759017 1066568357 /nfs/dbraw/zinc/56/83/57/1066568357.db2.gz WMHBOFCZPHNWFQ-BKUYFWCQSA-N 0 1 583.600 3.601 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000408760875 1066568022 /nfs/dbraw/zinc/56/80/22/1066568022.db2.gz AKUJMKUAZQLNOG-ODLFYWEKSA-N 0 1 618.443 3.965 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC(C)=O ZINC000408761359 1066571193 /nfs/dbraw/zinc/57/11/93/1066571193.db2.gz IWCFOSUPIZJTEP-SXGWCWSVSA-N 0 1 519.373 3.613 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000408761704 1066570543 /nfs/dbraw/zinc/57/05/43/1066570543.db2.gz BAARNWKAYOCVTC-ZHZULCJRSA-N 0 1 503.492 3.654 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000408762005 1066190709 /nfs/dbraw/zinc/19/07/09/1066190709.db2.gz JBUWOFOFAHVJJS-GRSHGNNSSA-N 0 1 648.469 3.974 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)NC2=S)cc1 ZINC000408762551 1066570521 /nfs/dbraw/zinc/57/05/21/1066570521.db2.gz PEGJPDNLZWYLQT-JCMHNJIXSA-N 0 1 508.577 3.603 40 10 KHCBMN CCOc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000408764095 1066570605 /nfs/dbraw/zinc/57/06/05/1066570605.db2.gz IJBZTDBRKSZFDH-JLPGSUDCSA-N 0 1 531.590 3.943 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000408764440 1066570330 /nfs/dbraw/zinc/57/03/30/1066570330.db2.gz IQGSWRJQUMMXKU-MOSHPQCFSA-N 0 1 618.443 3.965 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408765374 1066570058 /nfs/dbraw/zinc/57/00/58/1066570058.db2.gz PFBCBUJJVTUTTN-STZFKDTASA-N 0 1 583.600 3.601 40 10 KHCBMN COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c2ccccc21 ZINC000408773601 1066212351 /nfs/dbraw/zinc/21/23/51/1066212351.db2.gz RUAIMEHCCZEERV-LICLKQGHSA-N 0 1 512.385 3.717 40 10 KHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000408786404 1066576754 /nfs/dbraw/zinc/57/67/54/1066576754.db2.gz JKLVNMYOZOJPFW-CJLVFECKSA-N 0 1 504.587 3.901 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408786901 1066576628 /nfs/dbraw/zinc/57/66/28/1066576628.db2.gz PDBVZWWOSJTESE-UHFFFAOYSA-N 0 1 510.138 3.549 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408797692 1066581018 /nfs/dbraw/zinc/58/10/18/1066581018.db2.gz COSFJJZHUOJOLD-UHFFFAOYSA-N 0 1 510.138 3.549 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408798513 1066581104 /nfs/dbraw/zinc/58/11/04/1066581104.db2.gz FTTBMDWATVNEAO-UHFFFAOYSA-N 0 1 547.132 3.935 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(C)c(C)c1 ZINC000408803277 1066580489 /nfs/dbraw/zinc/58/04/89/1066580489.db2.gz NEBDIKVEBLITIY-UHFFFAOYSA-N 0 1 520.323 3.635 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408803372 1066580565 /nfs/dbraw/zinc/58/05/65/1066580565.db2.gz OCVFMRJXDFTWHI-UHFFFAOYSA-N 0 1 571.165 3.781 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408810716 1066582210 /nfs/dbraw/zinc/58/22/10/1066582210.db2.gz KJLINJFJWAEZGY-UHFFFAOYSA-N 0 1 526.714 3.672 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408815613 1066581629 /nfs/dbraw/zinc/58/16/29/1066581629.db2.gz SUGWRMDHJQTIBR-UHFFFAOYSA-N 0 1 524.165 3.939 40 10 KHCBMN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000408853204 1066594758 /nfs/dbraw/zinc/59/47/58/1066594758.db2.gz ZRPWDMGJQWTAGB-UKTHLTGXSA-N 0 1 509.367 3.775 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCC(=O)OC ZINC000408853606 1066222130 /nfs/dbraw/zinc/22/21/30/1066222130.db2.gz QFQPDKNUUWVIRP-UKTHLTGXSA-N 0 1 509.367 3.775 40 10 KHCBMN COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408854861 1066594094 /nfs/dbraw/zinc/59/40/94/1066594094.db2.gz ANADIDZNFFNPGL-YRNVUSSQSA-N 0 1 591.210 3.981 40 10 KHCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C(=O)NC1=S ZINC000408855007 1066594249 /nfs/dbraw/zinc/59/42/49/1066594249.db2.gz LSBRKGGPVXGXMH-NTEUORMPSA-N 0 1 555.248 3.781 40 10 KHCBMN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000408855885 1066223069 /nfs/dbraw/zinc/22/30/69/1066223069.db2.gz HSPZPYOFVCPBDX-IZZDOVSWSA-N 0 1 621.236 3.990 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OC ZINC000408866279 1066596388 /nfs/dbraw/zinc/59/63/88/1066596388.db2.gz HATLMNYVLWWAQW-ZROIWOOFSA-N 0 1 508.337 3.530 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OC(C)C ZINC000408866581 1066596337 /nfs/dbraw/zinc/59/63/37/1066596337.db2.gz GZLCUXKECWVLAU-DHDCSXOGSA-N 0 1 522.364 3.918 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1ccccc1Br ZINC000408867348 1066598201 /nfs/dbraw/zinc/59/82/01/1066598201.db2.gz KNFJRERDSTWLKO-UHFFFAOYSA-N 0 1 555.166 3.793 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1ccccc1Br ZINC000408871056 1066598916 /nfs/dbraw/zinc/59/89/16/1066598916.db2.gz XOHVDJOQWOPIOK-UHFFFAOYSA-N 0 1 508.166 3.951 40 10 KHCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408873652 1066598696 /nfs/dbraw/zinc/59/86/96/1066598696.db2.gz ULZIAJQAARIEII-ZROIWOOFSA-N 0 1 508.337 3.530 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC ZINC000408873901 1066223723 /nfs/dbraw/zinc/22/37/23/1066223723.db2.gz WXDTVZBDYKDNEG-GDNBJRDFSA-N 0 1 522.364 3.920 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1cc(C)cc(C)c1 ZINC000408878254 1066224645 /nfs/dbraw/zinc/22/46/45/1066224645.db2.gz YYWSJQKABAODEB-UHFFFAOYSA-N 0 1 504.324 3.647 40 10 KHCBMN CCCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408878435 1066224731 /nfs/dbraw/zinc/22/47/31/1066224731.db2.gz ASDIUMAIYJUMLD-GDNBJRDFSA-N 0 1 522.364 3.920 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1Br ZINC000408880927 1066224558 /nfs/dbraw/zinc/22/45/58/1066224558.db2.gz JLGWMTKFWVHFGM-UHFFFAOYSA-N 0 1 524.165 3.939 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1ccccc1Cl ZINC000408881028 1066224853 /nfs/dbraw/zinc/22/48/53/1066224853.db2.gz LGRSYNKNSXOMOD-UHFFFAOYSA-N 0 1 510.715 3.684 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1Br ZINC000408885687 1066599603 /nfs/dbraw/zinc/59/96/03/1066599603.db2.gz DWWPLGGKANSTQW-UHFFFAOYSA-N 0 1 510.138 3.549 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408886976 1066225400 /nfs/dbraw/zinc/22/54/00/1066225400.db2.gz KQHAKFZHQTVYIO-UHFFFAOYSA-N 0 1 520.323 3.635 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000408887249 1066225480 /nfs/dbraw/zinc/22/54/80/1066225480.db2.gz PAICAOWNHQKAHY-UHFFFAOYSA-N 0 1 509.312 3.970 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccccc1Br ZINC000408888705 1066225659 /nfs/dbraw/zinc/22/56/59/1066225659.db2.gz ZJDOHVJPOBPJJZ-UHFFFAOYSA-N 0 1 571.165 3.781 40 10 KHCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000408889772 1066601251 /nfs/dbraw/zinc/60/12/51/1066601251.db2.gz HAFRTYZAUSGAMM-STZFKDTASA-N 0 1 508.577 3.603 40 10 KHCBMN Cc1ccc(COc2c(I)cc(C=C3C(=O)NC(=O)NC3=O)cc2I)cc1 ZINC000408889965 1066190683 /nfs/dbraw/zinc/19/06/83/1066190683.db2.gz LVYCMYIOEOADNF-UHFFFAOYSA-N 0 1 588.139 3.533 40 10 KHCBMN O=C1NC(=O)C(=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1 ZINC000408890414 1066601224 /nfs/dbraw/zinc/60/12/24/1066601224.db2.gz SRKKEOBXIJBMOY-UHFFFAOYSA-N 0 1 608.557 3.878 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408890451 1066601241 /nfs/dbraw/zinc/60/12/41/1066601241.db2.gz UBLHVNXMFVMFOG-ZHZULCJRSA-N 0 1 508.577 3.603 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408896139 1066600618 /nfs/dbraw/zinc/60/06/18/1066600618.db2.gz PFZDFFJFQPRMRG-QNGOZBTKSA-N 0 1 522.604 3.993 40 10 KHCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(I)c3)C(=O)NC2=S)c1 ZINC000408903952 1066226493 /nfs/dbraw/zinc/22/64/93/1066226493.db2.gz BRFNVTSYMBKKNW-MHWRWJLKSA-N 0 1 522.364 3.920 40 10 KHCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)NC1=S ZINC000408903995 1066226529 /nfs/dbraw/zinc/22/65/29/1066226529.db2.gz CCYVXDUYVLCCEN-KPKJPENVSA-N 0 1 543.180 3.899 40 10 KHCBMN CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000408917401 1066613224 /nfs/dbraw/zinc/61/32/24/1066613224.db2.gz TULBQISOAICFCB-RIYZIHGNSA-N 0 1 526.327 3.669 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000408918238 1066230584 /nfs/dbraw/zinc/23/05/84/1066230584.db2.gz HWCHKSYDMHKCAC-MOSHPQCFSA-N 0 1 505.527 3.683 40 10 KHCBMN Cc1cccc(COc2c(I)cc(C=C3C(=O)NC(=O)NC3=O)cc2I)c1 ZINC000408926797 1066608358 /nfs/dbraw/zinc/60/83/58/1066608358.db2.gz YNZLTIGYTGGNGU-UHFFFAOYSA-N 0 1 588.139 3.533 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408927800 1066613808 /nfs/dbraw/zinc/61/38/08/1066613808.db2.gz RIOJWAHGDPZLCR-RZXXJPOTSA-N 0 1 576.900 3.986 40 10 KHCBMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408927802 1066232926 /nfs/dbraw/zinc/23/29/26/1066232926.db2.gz RIOJWAHGDPZLCR-XQJRBFNUSA-N 0 1 576.900 3.986 40 10 KHCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(I)o1 ZINC000408949815 1066238949 /nfs/dbraw/zinc/23/89/49/1066238949.db2.gz CJKNTRNDHFLYCC-VMPITWQZSA-N 0 1 521.105 3.617 40 10 KHCBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)cc1 ZINC000408949957 1066630377 /nfs/dbraw/zinc/63/03/77/1066630377.db2.gz CRPGPWCYNTTZCD-IZZDOVSWSA-N 0 1 517.142 3.786 40 10 KHCBMN Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(I)o2)C(=O)NC1=S ZINC000408951000 1066239129 /nfs/dbraw/zinc/23/91/29/1066239129.db2.gz HFCZAWDARJNENW-UXBLZVDNSA-N 0 1 517.142 3.786 40 10 KHCBMN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)c1 ZINC000408955114 1066636002 /nfs/dbraw/zinc/63/60/02/1066636002.db2.gz WHVKHOYRELJVSB-IZZDOVSWSA-N 0 1 517.142 3.786 40 10 KHCBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)cc1 ZINC000408955746 1066635287 /nfs/dbraw/zinc/63/52/87/1066635287.db2.gz YXSXLRGXZZBHCG-KPKJPENVSA-N 0 1 547.168 3.877 40 10 KHCBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(Br)c(I)o3)C(=O)NC2=S)c1 ZINC000408956059 1066634916 /nfs/dbraw/zinc/63/49/16/1066634916.db2.gz ZURONZDEBRDZKF-KPKJPENVSA-N 0 1 547.168 3.877 40 10 KHCBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000408963115 1066638815 /nfs/dbraw/zinc/63/88/15/1066638815.db2.gz MSBOHUODLJJBFL-WUXMJOGZSA-N 0 1 529.153 3.591 40 10 KHCBMN O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)N1CCOCC1 ZINC000408963310 1066639253 /nfs/dbraw/zinc/63/92/53/1066639253.db2.gz YZOXKOWRSISFDG-SFQUDFHCSA-N 0 1 543.432 3.638 40 10 KHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408964090 1066639266 /nfs/dbraw/zinc/63/92/66/1066639266.db2.gz BOKLCIZYDOOBEU-VCHYOVAHSA-N 0 1 549.461 3.880 40 10 KHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408965983 1066638654 /nfs/dbraw/zinc/63/86/54/1066638654.db2.gz KQVQRSVPBDZHDA-GZTJUZNOSA-N 0 1 549.461 3.880 40 10 KHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408966867 1066638708 /nfs/dbraw/zinc/63/87/08/1066638708.db2.gz OOZFCRDMRYXAHE-UDWIEESQSA-N 0 1 573.494 3.644 40 10 KHCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)c1 ZINC000408987170 1066246814 /nfs/dbraw/zinc/24/68/14/1066246814.db2.gz AQLLFHRPJGLKCP-CPNJWEJPSA-N 0 1 502.581 3.855 40 10 KHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)cc1C ZINC000408990381 1066247603 /nfs/dbraw/zinc/24/76/03/1066247603.db2.gz KXSJJPXWRQYXMN-CPNJWEJPSA-N 0 1 502.581 3.855 40 10 KHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)o3)C(=O)NC2=S)c(C)c1 ZINC000408991646 1066248365 /nfs/dbraw/zinc/24/83/65/1066248365.db2.gz ORIGNKMBAGAXBK-QGOAFFKASA-N 0 1 502.581 3.855 40 10 KHCBMN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992987 1066654906 /nfs/dbraw/zinc/65/49/06/1066654906.db2.gz UINPCIDONJOQBU-GASCZTMLSA-N 0 1 577.600 3.785 40 10 KHCBMN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992988 1066248284 /nfs/dbraw/zinc/24/82/84/1066248284.db2.gz UINPCIDONJOQBU-GJZGRUSLSA-N 0 1 577.600 3.785 40 10 KHCBMN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992990 1066654867 /nfs/dbraw/zinc/65/48/67/1066654867.db2.gz UINPCIDONJOQBU-HUUCEWRRSA-N 0 1 577.600 3.785 40 10 KHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408993651 1066248899 /nfs/dbraw/zinc/24/88/99/1066248899.db2.gz WOQZBPVUOJHUTF-CPNJWEJPSA-N 0 1 543.590 3.861 40 10 KHCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000408993868 1066654747 /nfs/dbraw/zinc/65/47/47/1066654747.db2.gz XOYKDZVZJAWHMM-QGOAFFKASA-N 0 1 529.563 3.553 40 10 KHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nnnn4-c4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408994467 1066654768 /nfs/dbraw/zinc/65/47/68/1066654768.db2.gz ZIFKQQVDIXOHGR-CPNJWEJPSA-N 0 1 543.590 3.861 40 10 KHCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409001727 1066660186 /nfs/dbraw/zinc/66/01/86/1066660186.db2.gz QYWCINDDGSMKNC-ODLFYWEKSA-N 0 1 505.443 3.794 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000409005516 1066659686 /nfs/dbraw/zinc/65/96/86/1066659686.db2.gz DWYMAWWAODZHPZ-UHFFFAOYSA-N 0 1 595.244 3.994 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409007286 1066666060 /nfs/dbraw/zinc/66/60/60/1066666060.db2.gz NMOWHEWJJHWMET-UHFFFAOYSA-N 0 1 529.593 3.930 40 10 KHCBMN CN1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)CC1 ZINC000409008543 1066665143 /nfs/dbraw/zinc/66/51/43/1066665143.db2.gz XPIWVEYNXOTVSN-UHFFFAOYSA-N 0 1 511.538 3.930 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC ZINC000409014673 1066662550 /nfs/dbraw/zinc/66/25/50/1066662550.db2.gz XXXYZPSBOOYVTI-OVCLIPMQSA-N 0 1 522.364 3.757 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)C(=O)NC2=S)cc1 ZINC000409015116 1066662570 /nfs/dbraw/zinc/66/25/70/1066662570.db2.gz YRIDLNLEDJYDOG-KPKJPENVSA-N 0 1 542.205 3.766 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)NC2=S)cc1 ZINC000409015244 1066662500 /nfs/dbraw/zinc/66/25/00/1066662500.db2.gz AZAJDPDPYYEWNW-UDWIEESQSA-N 0 1 506.540 3.851 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C(=O)NC2=S)cc1 ZINC000409018559 1066672243 /nfs/dbraw/zinc/67/22/43/1066672243.db2.gz HRJHODJYXMLRTA-UDWIEESQSA-N 0 1 506.540 3.851 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(Br)c(Br)c1O ZINC000409021418 1066670846 /nfs/dbraw/zinc/67/08/46/1066670846.db2.gz GKXFRHOZTMSXMY-VZUCSPMQSA-N 0 1 530.169 3.896 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1OC ZINC000409022786 1066252505 /nfs/dbraw/zinc/25/25/05/1066252505.db2.gz FIXBEDFKHXXMMO-VGOFMYFVSA-N 0 1 526.327 3.669 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)c(OC)c1 ZINC000409064635 1066701909 /nfs/dbraw/zinc/70/19/09/1066701909.db2.gz DRZOFROEIOGOIG-LDADJPATSA-N 0 1 559.385 3.930 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OC(C)C)c(OC)c3)C(=O)NC2=S)c(OC)c1 ZINC000409066330 1066700743 /nfs/dbraw/zinc/70/07/43/1066700743.db2.gz BUJORIMFKFRZDS-OVCLIPMQSA-N 0 1 582.416 3.936 40 10 KHCBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC ZINC000409071139 1066706532 /nfs/dbraw/zinc/70/65/32/1066706532.db2.gz DZUXFSBLWFIQJM-RIYZIHGNSA-N 0 1 521.389 3.705 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(Br)cc1OC ZINC000409073646 1066705139 /nfs/dbraw/zinc/70/51/39/1066705139.db2.gz WSEOHYGBVJNQMT-RIYZIHGNSA-N 0 1 521.389 3.705 40 10 KHCBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1C ZINC000409074256 1066261358 /nfs/dbraw/zinc/26/13/58/1066261358.db2.gz LHHPPIDSHWDAIA-DEDYPNTBSA-N 0 1 519.579 3.729 40 10 KHCBMN O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1 ZINC000409076489 1066703943 /nfs/dbraw/zinc/70/39/43/1066703943.db2.gz AVSGMLHIPNBWFN-UHFFFAOYSA-N 0 1 556.079 3.570 40 10 KHCBMN O=C1NC(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1 ZINC000409077897 1066709670 /nfs/dbraw/zinc/70/96/70/1066709670.db2.gz BCIYRWZWZMWKBD-UHFFFAOYSA-N 0 1 500.183 3.918 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409078956 1066709588 /nfs/dbraw/zinc/70/95/88/1066709588.db2.gz JLQHJKPCTXCARM-UHFFFAOYSA-N 0 1 530.209 3.926 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409084152 1066711782 /nfs/dbraw/zinc/71/17/82/1066711782.db2.gz BQQCVZTXNRKGLH-VXLYETTFSA-N 0 1 505.552 3.671 40 10 KHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409084514 1066261832 /nfs/dbraw/zinc/26/18/32/1066261832.db2.gz YBZYOTGIWGYAKY-UHFFFAOYSA-N 0 1 577.209 3.769 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409089416 1066194233 /nfs/dbraw/zinc/19/42/33/1066194233.db2.gz NMTCSVVNUYMHIL-NDENLUEZSA-N 0 1 506.540 3.851 40 10 KHCBMN O=C1NC(=O)C(=Cc2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 ZINC000409089471 1066719272 /nfs/dbraw/zinc/71/92/72/1066719272.db2.gz MLODNRQULKIZKQ-UHFFFAOYSA-N 0 1 500.183 3.918 40 10 KHCBMN O=C1NC(=O)C(=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N1 ZINC000409091856 1066718250 /nfs/dbraw/zinc/71/82/50/1066718250.db2.gz SQYLZZZTXXZDEI-UHFFFAOYSA-N 0 1 556.079 3.570 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(Br)c3Br)C(=O)NC2=S)c(OC)c1 ZINC000409092034 1066263200 /nfs/dbraw/zinc/26/32/00/1066263200.db2.gz XCTZFBRYTWAMFG-IZZDOVSWSA-N 0 1 572.231 3.774 40 10 KHCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC ZINC000409093935 1066717194 /nfs/dbraw/zinc/71/71/94/1066717194.db2.gz BTWYGNCXBTTZDI-ZSOIEALJSA-N 0 1 568.389 3.547 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(Br)c1OC ZINC000409094285 1066716765 /nfs/dbraw/zinc/71/67/65/1066716765.db2.gz DGNKCDXDTFIXNX-RIYZIHGNSA-N 0 1 521.389 3.705 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)C(=O)NC2=S)c(OC)c1 ZINC000409094286 1066716818 /nfs/dbraw/zinc/71/68/18/1066716818.db2.gz DGPFPRVAONCEED-YBFXNURJSA-N 0 1 536.566 3.859 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O ZINC000409095422 1066715636 /nfs/dbraw/zinc/71/56/36/1066715636.db2.gz HNOMJXWCULHIPG-IZZDOVSWSA-N 0 1 528.755 3.799 40 10 KHCBMN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409096724 1066713869 /nfs/dbraw/zinc/71/38/69/1066713869.db2.gz DXIGVBYLJMCUPK-GZTJUZNOSA-N 0 1 516.417 3.898 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409097407 1066724271 /nfs/dbraw/zinc/72/42/71/1066724271.db2.gz IICZZJAFHWXOOR-RGVLZGJSSA-N 0 1 506.540 3.851 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409097863 1066723895 /nfs/dbraw/zinc/72/38/95/1066723895.db2.gz MTWSVSJLCBZZQQ-YBFXNURJSA-N 0 1 536.566 3.859 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C(=O)NC2=S)c(OC)c1 ZINC000409098851 1066723249 /nfs/dbraw/zinc/72/32/49/1066723249.db2.gz QTZZPEDKFCCKNJ-GZTJUZNOSA-N 0 1 509.496 3.712 40 10 KHCBMN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000409099958 1066722427 /nfs/dbraw/zinc/72/24/27/1066722427.db2.gz SCRFQGGQRGVJJD-LICLKQGHSA-N 0 1 516.417 3.898 40 10 KHCBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC ZINC000409104329 1066726332 /nfs/dbraw/zinc/72/63/32/1066726332.db2.gz CWEZZEDTRKYIAI-RIYZIHGNSA-N 0 1 521.389 3.705 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(I)c1OC ZINC000409105862 1066264622 /nfs/dbraw/zinc/26/46/22/1066264622.db2.gz LOFAUQGEZWDQOI-RIYZIHGNSA-N 0 1 568.389 3.547 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409106432 1066724810 /nfs/dbraw/zinc/72/48/10/1066724810.db2.gz NLZQAOJKGBWXAL-LPYMAVHISA-N 0 1 518.595 3.901 40 10 KHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409107005 1066724853 /nfs/dbraw/zinc/72/48/53/1066724853.db2.gz OCNKSAOERXSGPM-YBFXNURJSA-N 0 1 536.566 3.859 40 10 KHCBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)o2)c(C)c1 ZINC000409108330 1066731192 /nfs/dbraw/zinc/73/11/92/1066731192.db2.gz WCSMIHRCJFVKET-XDHOZWIPSA-N 0 1 506.536 3.890 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(I)c1OCC ZINC000409115127 1066728233 /nfs/dbraw/zinc/72/82/33/1066728233.db2.gz KIPODHMISMVINE-OQLLNIDSSA-N 0 1 582.416 3.937 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1OC ZINC000409122652 1066732938 /nfs/dbraw/zinc/73/29/38/1066732938.db2.gz AQIKHKNBLIRSHC-OVCLIPMQSA-N 0 1 519.348 3.623 40 10 KHCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)NC1=S ZINC000409123208 1066732199 /nfs/dbraw/zinc/73/21/99/1066732199.db2.gz AHSWMBFKKZSSFM-LFIBNONCSA-N 0 1 504.381 3.565 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)cc1OC ZINC000409126808 1066734837 /nfs/dbraw/zinc/73/48/37/1066734837.db2.gz PIFWMKIHCVISDZ-CXUHLZMHSA-N 0 1 533.375 3.926 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1OC ZINC000409129106 1066738774 /nfs/dbraw/zinc/73/87/74/1066738774.db2.gz UKMVBMJXQBSFJZ-XQNSMLJCSA-N 0 1 550.589 3.914 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1O ZINC000409129289 1066738312 /nfs/dbraw/zinc/73/83/12/1066738312.db2.gz RNPYXIIUIBBUFD-RIYZIHGNSA-N 0 1 522.364 3.844 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC ZINC000409131058 1066737916 /nfs/dbraw/zinc/73/79/16/1066737916.db2.gz LPPHNGFSKAJHHJ-RIYZIHGNSA-N 0 1 522.364 3.757 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(OCC)c3)C2=O)cc1OC ZINC000409131645 1066737891 /nfs/dbraw/zinc/73/78/91/1066737891.db2.gz YNYPTLKZYSTOMK-CXUHLZMHSA-N 0 1 580.375 3.855 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OC ZINC000409132986 1066737413 /nfs/dbraw/zinc/73/74/13/1066737413.db2.gz YWMPNSOTNTUQJS-RIYZIHGNSA-N 0 1 522.364 3.757 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1OC ZINC000409134841 1066736721 /nfs/dbraw/zinc/73/67/21/1066736721.db2.gz PPMHNSRNNSODLY-SFQUDFHCSA-N 0 1 503.349 3.917 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C2=O)cc1OC ZINC000409136598 1066736364 /nfs/dbraw/zinc/73/63/64/1066736364.db2.gz XSAUKLAZFSPNMJ-OQKWZONESA-N 0 1 550.589 3.914 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1OC ZINC000409137003 1066735812 /nfs/dbraw/zinc/73/58/12/1066735812.db2.gz UMZUAXOAXGPHMI-KQWNVCNZSA-N 0 1 550.589 3.914 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1OC ZINC000409137073 1066735829 /nfs/dbraw/zinc/73/58/29/1066735829.db2.gz UXKPJPFYNOLABJ-MHWRWJLKSA-N 0 1 503.349 3.917 40 10 KHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409144252 1066739451 /nfs/dbraw/zinc/73/94/51/1066739451.db2.gz KGJCZYHETAMHFU-HZHRSRAPSA-N 0 1 529.553 3.501 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000409146433 1066742869 /nfs/dbraw/zinc/74/28/69/1066742869.db2.gz UBXKCNQKNYSTNC-PXLXIMEGSA-N 0 1 580.615 3.922 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OC)c3)C2=O)cc1OC ZINC000409146467 1066743463 /nfs/dbraw/zinc/74/34/63/1066743463.db2.gz UHBITCPDVFQESE-CXUHLZMHSA-N 0 1 580.375 3.768 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1O ZINC000409148900 1066747603 /nfs/dbraw/zinc/74/76/03/1066747603.db2.gz UFPOSEDVIHSMKI-RIYZIHGNSA-N 0 1 522.364 3.844 40 10 KHCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000409166307 1066753137 /nfs/dbraw/zinc/75/31/37/1066753137.db2.gz DGBKYXZZHISLKY-LCYFTJDESA-N 0 1 538.363 3.538 40 10 KHCBMN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1C ZINC000409166311 1066753183 /nfs/dbraw/zinc/75/31/83/1066753183.db2.gz DIHCZKFKGWAWKO-LDADJPATSA-N 0 1 506.540 3.851 40 10 KHCBMN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1C ZINC000409167849 1066269819 /nfs/dbraw/zinc/26/98/19/1066269819.db2.gz OFYGYFMGWGQEFZ-LDADJPATSA-N 0 1 506.540 3.851 40 10 KHCBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)NC1=S ZINC000409168419 1066269689 /nfs/dbraw/zinc/26/96/89/1066269689.db2.gz RDINQKBNDKCQMJ-GHRIWEEISA-N 0 1 529.359 3.922 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OC ZINC000409171767 1066755227 /nfs/dbraw/zinc/75/52/27/1066755227.db2.gz GRNOQBMHPYJBOT-UKTHLTGXSA-N 0 1 538.363 3.538 40 10 KHCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C(=O)NC1=S ZINC000409172734 1066754621 /nfs/dbraw/zinc/75/46/21/1066754621.db2.gz HQAURMLNBXXJOT-NTEUORMPSA-N 0 1 552.390 3.927 40 10 KHCBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000409172781 1066754675 /nfs/dbraw/zinc/75/46/75/1066754675.db2.gz LGQDTRCWRNVAIP-LDADJPATSA-N 0 1 506.540 3.851 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(Br)c(Br)c1O ZINC000409173609 1066270417 /nfs/dbraw/zinc/27/04/17/1066270417.db2.gz MJGGWHVXTISGLM-JXMROGBWSA-N 0 1 542.205 3.766 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCC ZINC000409175401 1066753730 /nfs/dbraw/zinc/75/37/30/1066753730.db2.gz YQCABFFQZJVHQL-GXDHUFHOSA-N 0 1 552.390 3.929 40 10 KHCBMN O=C1NC(=O)C(=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(=O)N1 ZINC000409184217 1066758190 /nfs/dbraw/zinc/75/81/90/1066758190.db2.gz FTPBXKHLLAVYHX-UHFFFAOYSA-N 0 1 534.377 3.727 40 10 KHCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)OC(C)C)cc2)C(=O)NC1=S ZINC000409186588 1066758173 /nfs/dbraw/zinc/75/81/73/1066758173.db2.gz FDYWNVPBWSDRSW-WOJGMQOQSA-N 0 1 517.401 3.919 40 10 KHCBMN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409187536 1066763078 /nfs/dbraw/zinc/76/30/78/1066763078.db2.gz RPJMSWVCDNCTOH-VCHYOVAHSA-N 0 1 503.374 3.611 40 10 KHCBMN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409189943 1066762311 /nfs/dbraw/zinc/76/23/11/1066762311.db2.gz OBJPPBQMUNEDTK-WOJGMQOQSA-N 0 1 503.374 3.611 40 10 KHCBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c(OC)c3)C2=O)cc1OCC ZINC000409192217 1066762006 /nfs/dbraw/zinc/76/20/06/1066762006.db2.gz VSYLPZMQWPDAEJ-CXUHLZMHSA-N 0 1 580.375 3.855 40 10 KHCBMN O=C1NC(=O)C(=Cc2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)C(=O)N1 ZINC000409194683 1066761444 /nfs/dbraw/zinc/76/14/44/1066761444.db2.gz QOVCYYFKMHWRHU-UHFFFAOYSA-N 0 1 505.299 3.587 40 10 KHCBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c1C ZINC000409197655 1066766053 /nfs/dbraw/zinc/76/60/53/1066766053.db2.gz LLTOQEQSNHOQKT-VXLYETTFSA-N 0 1 535.578 3.950 40 10 KHCBMN CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2cc(Br)ccc21 ZINC000409206095 1066763569 /nfs/dbraw/zinc/76/35/69/1066763569.db2.gz HPUFUYZMZRPNRR-ODLFYWEKSA-N 0 1 515.408 3.677 40 10 KHCBMN O=C(COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1 ZINC000409220202 1066770070 /nfs/dbraw/zinc/77/00/70/1066770070.db2.gz ZFINZFCNLCIKEQ-UHFFFAOYSA-N 0 1 557.582 3.632 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC ZINC000409220752 1066770142 /nfs/dbraw/zinc/77/01/42/1066770142.db2.gz FGYMVBVMFOKYLA-RIYZIHGNSA-N 0 1 522.364 3.757 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1O ZINC000409238248 1066774103 /nfs/dbraw/zinc/77/41/03/1066774103.db2.gz MELOWDKHCJIIJK-LFYBBSHMSA-N 0 1 528.755 3.799 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1OC ZINC000409239270 1066774049 /nfs/dbraw/zinc/77/40/49/1066774049.db2.gz CVJINLPUPTUZOE-NTEUORMPSA-N 0 1 522.364 3.838 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1O ZINC000409240794 1066274780 /nfs/dbraw/zinc/27/47/80/1066274780.db2.gz IABUDGJURONGOF-OVCLIPMQSA-N 0 1 522.364 3.960 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(I)c1O ZINC000409242014 1066773737 /nfs/dbraw/zinc/77/37/37/1066773737.db2.gz ZXTDLOYQFOKRFA-YRNVUSSQSA-N 0 1 528.755 3.880 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(I)c1OC ZINC000409243786 1066275336 /nfs/dbraw/zinc/27/53/36/1066275336.db2.gz UFRVYDFKSKLDGF-YRNVUSSQSA-N 0 1 528.755 3.793 40 10 KHCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000409246060 1066772667 /nfs/dbraw/zinc/77/26/67/1066772667.db2.gz DHYALACRECCXAZ-WUXMJOGZSA-N 0 1 518.254 3.847 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1O ZINC000409246783 1066772530 /nfs/dbraw/zinc/77/25/30/1066772530.db2.gz DKNNJMLQZPTNAV-MDWZMJQESA-N 0 1 508.337 3.535 40 10 KHCBMN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1Cl ZINC000409247707 1066775483 /nfs/dbraw/zinc/77/54/83/1066775483.db2.gz ATXZUTJDFWPSJW-UHFFFAOYSA-N 0 1 571.609 3.940 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(I)c1O ZINC000409249738 1066774621 /nfs/dbraw/zinc/77/46/21/1066774621.db2.gz LFBGJQMBQHCPFM-RIYZIHGNSA-N 0 1 522.364 3.844 40 10 KHCBMN CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000409250533 1066774554 /nfs/dbraw/zinc/77/45/54/1066774554.db2.gz QVLSSOLCDKCMQG-ZROIWOOFSA-N 0 1 522.364 3.838 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1O ZINC000409251188 1066275508 /nfs/dbraw/zinc/27/55/08/1066275508.db2.gz ZZNJPKRIQSAKAR-LFYBBSHMSA-N 0 1 548.280 3.856 40 10 KHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409252043 1066777538 /nfs/dbraw/zinc/77/75/38/1066777538.db2.gz RLFKHKVARUMCEO-UHFFFAOYSA-N 0 1 536.766 3.577 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409252131 1066777408 /nfs/dbraw/zinc/77/74/08/1066777408.db2.gz QRELNEQWRZWRFF-ZHZULCJRSA-N 0 1 501.564 3.852 40 10 KHCBMN O=C(COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccccc1Cl ZINC000409254646 1066776688 /nfs/dbraw/zinc/77/66/88/1066776688.db2.gz XYNYWWSHCHQTIO-UHFFFAOYSA-N 0 1 557.582 3.632 40 10 KHCBMN Cc1cccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1C ZINC000409256342 1066275202 /nfs/dbraw/zinc/27/52/02/1066275202.db2.gz NVNCEFVEBJDHMD-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409256452 1066776223 /nfs/dbraw/zinc/77/62/23/1066776223.db2.gz LIRZOHFOHOAPAN-STZFKDTASA-N 0 1 501.564 3.852 40 10 KHCBMN Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c(C)c1 ZINC000409256494 1066776104 /nfs/dbraw/zinc/77/61/04/1066776104.db2.gz OVDMIBYESHIKBX-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1C ZINC000409257553 1066781382 /nfs/dbraw/zinc/78/13/82/1066781382.db2.gz SUMTXFQYMMTWOG-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409261426 1066779951 /nfs/dbraw/zinc/77/99/51/1066779951.db2.gz BOGBAPCPBWMEPE-QNGOZBTKSA-N 0 1 501.564 3.934 40 10 KHCBMN Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 ZINC000409262513 1066778144 /nfs/dbraw/zinc/77/81/44/1066778144.db2.gz FPDGVEWPESVJST-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN Cc1ccc(C)c(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1 ZINC000409263341 1066779209 /nfs/dbraw/zinc/77/92/09/1066779209.db2.gz MFLILXCGZAWHOH-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)cc1 ZINC000409264001 1066779487 /nfs/dbraw/zinc/77/94/87/1066779487.db2.gz JZNAAZPBOIYLCD-UHFFFAOYSA-N 0 1 557.582 3.632 40 10 KHCBMN Cc1ccc(C)c(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1 ZINC000409265115 1066778805 /nfs/dbraw/zinc/77/88/05/1066778805.db2.gz MRHTYRARXLKGEY-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1Cl ZINC000409267087 1066276396 /nfs/dbraw/zinc/27/63/96/1066276396.db2.gz LULLKCZTNKLSHJ-UHFFFAOYSA-N 0 1 571.609 3.940 40 10 KHCBMN Cc1ccc(NC(=O)COc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1C ZINC000409268125 1066782767 /nfs/dbraw/zinc/78/27/67/1066782767.db2.gz QCEQYHGNSCTKTL-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1C ZINC000409269864 1066782320 /nfs/dbraw/zinc/78/23/20/1066782320.db2.gz AJGOVPOKNSCRGP-UHFFFAOYSA-N 0 1 551.191 3.595 40 10 KHCBMN O=C(COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1Cl ZINC000409270122 1066782240 /nfs/dbraw/zinc/78/22/40/1066782240.db2.gz CKWOCCCCYTURSO-UHFFFAOYSA-N 0 1 557.582 3.632 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409271748 1066781899 /nfs/dbraw/zinc/78/18/99/1066781899.db2.gz MPQGIYMXFNVSCJ-STZFKDTASA-N 0 1 501.564 3.852 40 10 KHCBMN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1I ZINC000409329386 1066796683 /nfs/dbraw/zinc/79/66/83/1066796683.db2.gz FNMCEOWKZTUMTC-JYRVWZFOSA-N 0 1 502.380 3.908 40 10 KHCBMN COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC ZINC000409332360 1066796230 /nfs/dbraw/zinc/79/62/30/1066796230.db2.gz QJSOGOXOTWVNPP-VIZOYTHASA-N 0 1 543.442 3.617 40 10 KHCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409340325 1066798509 /nfs/dbraw/zinc/79/85/09/1066798509.db2.gz VEPXXXOPBIOMAN-PDGQHHTCSA-N 0 1 577.643 3.979 40 10 KHCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1O ZINC000409345228 1066797790 /nfs/dbraw/zinc/79/77/90/1066797790.db2.gz KJOVQRQYWNYYLQ-KPKJPENVSA-N 0 1 518.379 3.613 40 10 KHCBMN CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC ZINC000409345968 1066797599 /nfs/dbraw/zinc/79/75/99/1066797599.db2.gz MWGKRGJVWVFINH-OQLLNIDSSA-N 0 1 604.469 3.849 40 10 KHCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000409347911 1066803318 /nfs/dbraw/zinc/80/33/18/1066803318.db2.gz OSPKTHJPWYMNOS-UYRXBGFRSA-N 0 1 517.654 3.694 40 10 KHCBMN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OC ZINC000409348687 1066281419 /nfs/dbraw/zinc/28/14/19/1066281419.db2.gz OMEDWMHRHSKSIO-MDWZMJQESA-N 0 1 532.406 3.916 40 10 KHCBMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409349738 1066802653 /nfs/dbraw/zinc/80/26/53/1066802653.db2.gz WACPVEAJRPAAOX-DHDCSXOGSA-N 0 1 513.018 3.898 40 10 KHCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(I)c1OCC(=O)OC ZINC000409350481 1066802568 /nfs/dbraw/zinc/80/25/68/1066802568.db2.gz YGIMZPGPBUVKID-OQLLNIDSSA-N 0 1 604.469 3.849 40 10 KHCBMN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409351236 1066281448 /nfs/dbraw/zinc/28/14/48/1066281448.db2.gz ZTJDASRQICCUQG-RIYZIHGNSA-N 0 1 513.416 3.609 40 10 KHCBMN COC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1Br ZINC000409351458 1066801932 /nfs/dbraw/zinc/80/19/32/1066801932.db2.gz UTGINEHCGYAPKE-RIYZIHGNSA-N 0 1 513.416 3.609 40 10 KHCBMN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409352631 1066802027 /nfs/dbraw/zinc/80/20/27/1066802027.db2.gz XMBZIZLMUMFOQG-OQLLNIDSSA-N 0 1 527.443 3.999 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409363266 1066805156 /nfs/dbraw/zinc/80/51/56/1066805156.db2.gz LBHYGZGWYQGTKM-MOSHPQCFSA-N 0 1 505.527 3.683 40 10 KHCBMN CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000409370388 1066811727 /nfs/dbraw/zinc/81/17/27/1066811727.db2.gz PZIPWCSCDIIKNQ-LICLKQGHSA-N 0 1 547.427 3.793 40 10 KHCBMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000409370972 1066811084 /nfs/dbraw/zinc/81/10/84/1066811084.db2.gz AWMOTGOVUBYBNM-ODLFYWEKSA-N 0 1 515.307 3.954 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409371042 1066811616 /nfs/dbraw/zinc/81/16/16/1066811616.db2.gz ANJTWZXZJMGYSD-VCHYOVAHSA-N 0 1 601.353 3.572 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 ZINC000409371233 1066810983 /nfs/dbraw/zinc/81/09/83/1066810983.db2.gz BRELJDRXAVTHCD-GIJQJNRQSA-N 0 1 572.343 3.869 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409371441 1066811048 /nfs/dbraw/zinc/81/10/48/1066811048.db2.gz CLGTZNQVHDBCSU-VXLYETTFSA-N 0 1 523.929 3.930 40 10 KHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(I)c1 ZINC000409371844 1066811028 /nfs/dbraw/zinc/81/10/28/1066811028.db2.gz IVJQSUVKWLZGHW-VXLYETTFSA-N 0 1 515.307 3.954 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409372243 1066811001 /nfs/dbraw/zinc/81/10/01/1066811001.db2.gz DBNOMHIUIYNEBE-VXLYETTFSA-N 0 1 615.380 3.881 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409372463 1066810943 /nfs/dbraw/zinc/81/09/43/1066810943.db2.gz DRHVVRBUCGYVDY-YBFXNURJSA-N 0 1 615.380 3.962 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409372567 1066810563 /nfs/dbraw/zinc/81/05/63/1066810563.db2.gz FEOGFMJZAQSSSA-VCHYOVAHSA-N 0 1 554.353 3.730 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409373231 1066810368 /nfs/dbraw/zinc/81/03/68/1066810368.db2.gz GABHBBOVDZHADI-GIJQJNRQSA-N 0 1 572.343 3.869 40 10 KHCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br)Nc1ccccc1 ZINC000409373260 1066810452 /nfs/dbraw/zinc/81/04/52/1066810452.db2.gz GJALSINVFWGXBR-WOJGMQOQSA-N 0 1 524.327 3.722 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409373967 1066810407 /nfs/dbraw/zinc/81/04/07/1066810407.db2.gz IYVOPTPDSJNYKQ-VCHYOVAHSA-N 0 1 509.902 3.621 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000409374364 1066810391 /nfs/dbraw/zinc/81/03/91/1066810391.db2.gz NQRSSPYUBHFZDA-VCHYOVAHSA-N 0 1 554.353 3.730 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409374403 1066810484 /nfs/dbraw/zinc/81/04/84/1066810484.db2.gz OQWYYYUIYFOMLQ-GIJQJNRQSA-N 0 1 619.343 3.711 40 10 KHCBMN COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409374433 1066283758 /nfs/dbraw/zinc/28/37/58/1066283758.db2.gz POWCIEVHSKHZFK-GIJQJNRQSA-N 0 1 527.892 3.760 40 10 KHCBMN CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000409374620 1066809998 /nfs/dbraw/zinc/80/99/98/1066809998.db2.gz VECUBHJRFKJYFO-AAWHYMEISA-N 0 1 524.311 3.732 40 10 KHCBMN CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000409374621 1066809823 /nfs/dbraw/zinc/80/98/23/1066809823.db2.gz VECUBHJRFKJYFO-AZZDOICSSA-N 0 1 524.311 3.732 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)c(Br)c1O ZINC000409374692 1066810016 /nfs/dbraw/zinc/81/00/16/1066810016.db2.gz WTYHTLUKCNTLBH-IZZDOVSWSA-N 0 1 514.126 3.571 40 10 KHCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409374730 1066809875 /nfs/dbraw/zinc/80/98/75/1066809875.db2.gz XTBDYJYFXCUWCU-VCHYOVAHSA-N 0 1 542.317 3.861 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OC(C)C ZINC000409374813 1066809950 /nfs/dbraw/zinc/80/99/50/1066809950.db2.gz ZYIFBYJZYVGGED-OVCLIPMQSA-N 0 1 524.311 3.732 40 10 KHCBMN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1I ZINC000409375864 1066808871 /nfs/dbraw/zinc/80/88/71/1066808871.db2.gz QBURCUGQFBVOGR-GZTJUZNOSA-N 0 1 564.401 3.627 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000409376093 1066807666 /nfs/dbraw/zinc/80/76/66/1066807666.db2.gz UHDFLEYBUAUYRQ-LICLKQGHSA-N 0 1 547.427 3.793 40 10 KHCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br)N1CCOCC1 ZINC000409376860 1066808112 /nfs/dbraw/zinc/80/81/12/1066808112.db2.gz DNFPFZYFGZURED-GXDHUFHOSA-N 0 1 599.290 3.825 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCC(=O)OC ZINC000409376983 1066808131 /nfs/dbraw/zinc/80/81/31/1066808131.db2.gz DFBAURPSFULVRF-LICLKQGHSA-N 0 1 594.427 3.635 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000409377575 1066813925 /nfs/dbraw/zinc/81/39/25/1066813925.db2.gz JAVROPPDMCYKMI-LICLKQGHSA-N 0 1 547.427 3.793 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409378238 1066812699 /nfs/dbraw/zinc/81/26/99/1066812699.db2.gz NWQHHFUGSIMEJJ-HKWRFOASSA-N 0 1 531.590 3.943 40 10 KHCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C(=O)NC1=S ZINC000409379258 1066812275 /nfs/dbraw/zinc/81/22/75/1066812275.db2.gz WHYGBPYFDKCLFV-GZTJUZNOSA-N 0 1 623.323 3.589 40 10 KHCBMN CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000409379609 1066820671 /nfs/dbraw/zinc/82/06/71/1066820671.db2.gz YLFVHQLTUYQOGZ-LICLKQGHSA-N 0 1 502.976 3.684 40 10 KHCBMN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000409382175 1066818142 /nfs/dbraw/zinc/81/81/42/1066818142.db2.gz PPQJVJXUUXCTMF-RGEXLXHISA-N 0 1 517.563 3.553 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409382699 1066817479 /nfs/dbraw/zinc/81/74/79/1066817479.db2.gz PNXNSXWFQKZAOD-JCMHNJIXSA-N 0 1 531.590 3.943 40 10 KHCBMN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000409382831 1066817367 /nfs/dbraw/zinc/81/73/67/1066817367.db2.gz RODWAKDFAGEZII-LICLKQGHSA-N 0 1 594.427 3.635 40 10 KHCBMN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000409382943 1066817446 /nfs/dbraw/zinc/81/74/46/1066817446.db2.gz YTGYFQPECVANPJ-LICLKQGHSA-N 0 1 547.427 3.793 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409382968 1066817433 /nfs/dbraw/zinc/81/74/33/1066817433.db2.gz SIQKBCABZHCPLH-LICLKQGHSA-N 0 1 502.976 3.684 40 10 KHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1O ZINC000409383001 1066284456 /nfs/dbraw/zinc/28/44/56/1066284456.db2.gz QHOCQMAXDFUAHY-OQLLNIDSSA-N 0 1 522.364 3.789 40 10 KHCBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409383305 1066817511 /nfs/dbraw/zinc/81/75/11/1066817511.db2.gz UDOVTKDEYGIXAG-AQTBWJFISA-N 0 1 505.527 3.683 40 10 KHCBMN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409385091 1066816140 /nfs/dbraw/zinc/81/61/40/1066816140.db2.gz HJLHCUPKRHRDJQ-STZFKDTASA-N 0 1 517.563 3.553 40 10 KHCBMN O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br)N1CCOCC1 ZINC000409385746 1066285140 /nfs/dbraw/zinc/28/51/40/1066285140.db2.gz JYCBOMGSTKQDGO-OQLLNIDSSA-N 0 1 599.290 3.825 40 10 KHCBMN COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c3ccccc32)o1 ZINC000409392398 1066821278 /nfs/dbraw/zinc/82/12/78/1066821278.db2.gz MAKROKLFURFPTD-FYJGNVAPSA-N 0 1 515.547 3.909 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000409398528 1066829377 /nfs/dbraw/zinc/82/93/77/1066829377.db2.gz BUQZNHUSMHOGTE-GRSHGNNSSA-N 0 1 503.467 3.763 40 10 KHCBMN O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1cccc(F)c1 ZINC000409398793 1066829010 /nfs/dbraw/zinc/82/90/10/1066829010.db2.gz CRMAMZUTABYCLQ-ODLFYWEKSA-N 0 1 557.319 3.909 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1 ZINC000409399149 1066828399 /nfs/dbraw/zinc/82/83/99/1066828399.db2.gz GCXJGXVINIZUDK-BKUYFWCQSA-N 0 1 516.510 3.781 40 10 KHCBMN O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccc(F)cc1 ZINC000409399250 1066828442 /nfs/dbraw/zinc/82/84/42/1066828442.db2.gz GYCZBBKHNCUAMW-UNOMPAQXSA-N 0 1 557.319 3.909 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1 ZINC000409399414 1066827847 /nfs/dbraw/zinc/82/78/47/1066827847.db2.gz IIFUJIQHKKWAST-NDENLUEZSA-N 0 1 520.473 3.612 40 10 KHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409399521 1066827337 /nfs/dbraw/zinc/82/73/37/1066827337.db2.gz JHKWQBXTAUKCSE-NDENLUEZSA-N 0 1 507.930 3.836 40 10 KHCBMN O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccccc1 ZINC000409399685 1066827229 /nfs/dbraw/zinc/82/72/29/1066827229.db2.gz LUWIEFPSTLLDSX-UYRXBGFRSA-N 0 1 539.329 3.770 40 10 KHCBMN O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccccc1F ZINC000409400234 1066826101 /nfs/dbraw/zinc/82/61/01/1066826101.db2.gz QSUBWXLDQGHSKE-ATVHPVEESA-N 0 1 557.319 3.909 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F ZINC000409400911 1066833480 /nfs/dbraw/zinc/83/34/80/1066833480.db2.gz VBKZVLWDYVVREB-PDGQHHTCSA-N 0 1 520.473 3.612 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C ZINC000409400969 1066833513 /nfs/dbraw/zinc/83/35/13/1066833513.db2.gz WRWQHAXXMHOILS-MOSHPQCFSA-N 0 1 516.510 3.781 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1 ZINC000409401763 1066287018 /nfs/dbraw/zinc/28/70/18/1066287018.db2.gz ZSVVWXCCKTYIOY-JAIQZWGSSA-N 0 1 520.473 3.612 40 10 KHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000409403721 1066831524 /nfs/dbraw/zinc/83/15/24/1066831524.db2.gz ATYPLBLLSOHDGX-UNOMPAQXSA-N 0 1 522.355 3.937 40 10 KHCBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000409404082 1066831535 /nfs/dbraw/zinc/83/15/35/1066831535.db2.gz BUFWYASFBFKGMZ-DEDYPNTBSA-N 0 1 522.355 3.937 40 10 KHCBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 ZINC000409404084 1066831477 /nfs/dbraw/zinc/83/14/77/1066831477.db2.gz BUFWYASFBFKGMZ-MOSHPQCFSA-N 0 1 522.355 3.937 40 10 KHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409404096 1066831543 /nfs/dbraw/zinc/83/15/43/1066831543.db2.gz BXDKBICOMUQSCJ-UNOMPAQXSA-N 0 1 522.355 3.937 40 10 KHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409405605 1066831089 /nfs/dbraw/zinc/83/10/89/1066831089.db2.gz IBXDMSJJHUIOIY-ODLFYWEKSA-N 0 1 587.345 3.918 40 10 KHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1F ZINC000409405900 1066830622 /nfs/dbraw/zinc/83/06/22/1066830622.db2.gz ISSYUDRJYNMPAY-BOPFTXTBSA-N 0 1 587.345 3.918 40 10 KHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(F)c1 ZINC000409406032 1066830637 /nfs/dbraw/zinc/83/06/37/1066830637.db2.gz JHNGAVVGGDKKMI-GRSHGNNSSA-N 0 1 587.345 3.918 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000409407478 1066838125 /nfs/dbraw/zinc/83/81/25/1066838125.db2.gz GDLMDLPEXDHTRN-MOSHPQCFSA-N 0 1 518.522 3.792 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)OC(C)C ZINC000409409143 1066836672 /nfs/dbraw/zinc/83/66/72/1066836672.db2.gz SYLNSGRNFNWQIW-YVLHZVERSA-N 0 1 503.349 3.640 40 10 KHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000409409173 1066836757 /nfs/dbraw/zinc/83/67/57/1066836757.db2.gz TYEDZZYPRRVITR-UNOMPAQXSA-N 0 1 569.355 3.779 40 10 KHCBMN CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000409409183 1066836796 /nfs/dbraw/zinc/83/67/96/1066836796.db2.gz UBZGNPVMRFCIDV-FMNVXAMXSA-N 0 1 503.349 3.640 40 10 KHCBMN CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000409409184 1066836779 /nfs/dbraw/zinc/83/67/79/1066836779.db2.gz UBZGNPVMRFCIDV-RQNDZEIBSA-N 0 1 503.349 3.640 40 10 KHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)OC(C)C ZINC000409409811 1066836345 /nfs/dbraw/zinc/83/63/45/1066836345.db2.gz XHRJATGNLNQGJQ-YVLHZVERSA-N 0 1 503.349 3.640 40 10 KHCBMN CCOC(=O)[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000409410090 1066835772 /nfs/dbraw/zinc/83/57/72/1066835772.db2.gz YTOZORZXDLTZLV-FMNVXAMXSA-N 0 1 503.349 3.640 40 10 KHCBMN CCOC(=O)[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000409410091 1066835730 /nfs/dbraw/zinc/83/57/30/1066835730.db2.gz YTOZORZXDLTZLV-RQNDZEIBSA-N 0 1 503.349 3.640 40 10 KHCBMN