smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)c1 ZINC000000907437 551570126 /nfs/dbraw/zinc/57/01/26/551570126.db2.gz CWHIIJFHAKWCBI-UHFFFAOYSA-N 0 0 505.556 4.899 40 5 KJBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)c(OC)c1 ZINC000000907446 551570524 /nfs/dbraw/zinc/57/05/24/551570524.db2.gz MOXLJEUUQYKQRA-UHFFFAOYSA-N 0 0 505.556 4.899 40 5 KJBBRN CCc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1 ZINC000000914254 551571002 /nfs/dbraw/zinc/57/10/02/551571002.db2.gz PJQLHUIVYACMNV-UHFFFAOYSA-N 0 0 505.596 4.741 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000000950838 551589269 /nfs/dbraw/zinc/58/92/69/551589269.db2.gz YOOHXOKNVQNNGU-HJOGWXRNSA-N 0 0 547.589 4.763 40 5 KJBBRN O=C1S/C(=C\c2cc(Br)c(I)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000001106758 551610081 /nfs/dbraw/zinc/61/00/81/551610081.db2.gz IFQXHEYSLSSGTC-SDQBBNPISA-N 0 0 535.113 4.791 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000001239805 551630573 /nfs/dbraw/zinc/63/05/73/551630573.db2.gz YOOHXOKNVQNNGU-VXNXHJTFSA-N 0 0 547.589 4.763 40 5 KJBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000001298661 551637681 /nfs/dbraw/zinc/63/76/81/551637681.db2.gz XDJVBOVYZPVUFC-VABKMULXSA-N 0 0 544.347 4.970 40 5 KJBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000001314398 551639970 /nfs/dbraw/zinc/63/99/70/551639970.db2.gz SMCKRAPUDIDSSG-QKDODKLFSA-N 0 0 525.517 4.816 40 5 KJBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000001314469 551639945 /nfs/dbraw/zinc/63/99/45/551639945.db2.gz KTGJPNGCODAZTE-VABKMULXSA-N 0 0 538.354 4.725 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)c1 ZINC000001314697 551640439 /nfs/dbraw/zinc/64/04/39/551640439.db2.gz HOOJZYRVUJCISB-ARNLJNQMSA-N 0 0 598.406 4.911 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3cc(Br)c(O)c(OCC)c3)C2=O)cc1 ZINC000001314780 551640409 /nfs/dbraw/zinc/64/04/09/551640409.db2.gz GTUXVSNIMFGURM-OYRHQHFDSA-N 0 0 598.406 4.911 40 5 KJBBRN CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)c(O)c(OC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000001315599 551640499 /nfs/dbraw/zinc/64/04/99/551640499.db2.gz KMSZUBVANVMKLU-GPXNEJASSA-N 0 0 568.380 4.685 40 5 KJBBRN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000001316151 551640723 /nfs/dbraw/zinc/64/07/23/551640723.db2.gz PDTKWHWUXPKTSO-SKKKGAJSSA-N 0 0 585.572 4.821 40 5 KJBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000001316698 551640659 /nfs/dbraw/zinc/64/06/59/551640659.db2.gz PQOCXMGKHRLBJX-FKBYEOEOSA-N 0 0 542.317 4.556 40 5 KJBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000001317525 551641060 /nfs/dbraw/zinc/64/10/60/551641060.db2.gz YTGUMACEWQRQPH-WPFOTENUSA-N 0 0 568.380 4.508 40 5 KJBBRN O=C1c2ccc(Oc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3)cc2C(=O)N1c1ccc(O)cc1 ZINC000001424025 551668997 /nfs/dbraw/zinc/66/89/97/551668997.db2.gz UKOIWZWDLNXKBJ-UHFFFAOYSA-N 0 0 521.441 4.694 40 5 KJBBRN Cc1ccc(S(=O)(=O)N(c2cc([N+](=O)[O-])ccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001716351 551690640 /nfs/dbraw/zinc/69/06/40/551690640.db2.gz WATYUCMFRWVPQZ-UHFFFAOYSA-N 0 0 525.402 4.558 40 5 KJBBRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cc3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000001865850 551718069 /nfs/dbraw/zinc/71/80/69/551718069.db2.gz CREJSJSLJSKZNK-UHFFFAOYSA-N 0 0 570.557 4.629 40 5 KJBBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(OS(=O)(=O)c3ccccc3)cc2)C1=O ZINC000001879290 551723860 /nfs/dbraw/zinc/72/38/60/551723860.db2.gz CSMNRWJAVWAZLV-FCEKVYKBSA-N 0 0 585.594 4.722 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000001886060 551725654 /nfs/dbraw/zinc/72/56/54/551725654.db2.gz DYNKTJOXEXBUKW-PJJLUWSFSA-N 0 0 576.650 4.652 40 5 KJBBRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)c1 ZINC000001898595 551729572 /nfs/dbraw/zinc/72/95/72/551729572.db2.gz FIXGWXNWRWCBJM-FCEKVYKBSA-N 0 0 585.594 4.722 40 5 KJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000001899138 551729813 /nfs/dbraw/zinc/72/98/13/551729813.db2.gz DVCZDRCEAYRFBE-FCEKVYKBSA-N 0 0 585.594 4.722 40 5 KJBBRN O=C(Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc1-2)c1cccc([N+](=O)[O-])c1 ZINC000002029535 551736600 /nfs/dbraw/zinc/73/66/00/551736600.db2.gz GKZUMQOOGATFBZ-UHFFFAOYSA-N 0 0 544.501 4.821 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148301 551776796 /nfs/dbraw/zinc/77/67/96/551776796.db2.gz QRYAATDOXSECPJ-PQRKSKNISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002148309 551776775 /nfs/dbraw/zinc/77/67/75/551776775.db2.gz QRYAATDOXSECPJ-NNAGEYCMSA-N 0 0 599.665 4.684 40 5 KJBBRN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN32)cc1 ZINC000002238418 551798588 /nfs/dbraw/zinc/79/85/88/551798588.db2.gz QKOKFEDFPJKHSQ-KIHHCIJBSA-N 0 0 506.356 4.843 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002242565 551799354 /nfs/dbraw/zinc/79/93/54/551799354.db2.gz DYMOCMCQRPEQAM-QCKNELIISA-N 0 0 500.599 4.754 40 5 KJBBRN O=C(COC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002283885 551806444 /nfs/dbraw/zinc/80/64/44/551806444.db2.gz WAOHHXJNVZOOMJ-KGENOOAVSA-N 0 0 509.312 4.554 40 5 KJBBRN CCc1ccc(-n2c3nnc(SCC(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)n3c3ccccc3c2=O)cc1 ZINC000002628450 552139178 /nfs/dbraw/zinc/13/91/78/552139178.db2.gz GRZVDBUGKHPLCB-UHFFFAOYSA-N 0 0 534.985 4.888 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000002683554 552155923 /nfs/dbraw/zinc/15/59/23/552155923.db2.gz RHAYIGYRGSMNCH-GJFKPFFXSA-N 0 0 561.641 4.688 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000002683556 552155935 /nfs/dbraw/zinc/15/59/35/552155935.db2.gz RHAYIGYRGSMNCH-LWUPDDLQSA-N 0 0 561.641 4.688 40 5 KJBBRN O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000002773455 552185796 /nfs/dbraw/zinc/18/57/96/552185796.db2.gz BYYFUBPIMKJIFF-UHFFFAOYSA-N 0 0 515.272 4.884 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002915475 552216565 /nfs/dbraw/zinc/21/65/65/552216565.db2.gz WKOVHYDOWCEWCJ-PQRKSKNISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002915480 552216569 /nfs/dbraw/zinc/21/65/69/552216569.db2.gz WKOVHYDOWCEWCJ-NNAGEYCMSA-N 0 0 599.665 4.684 40 5 KJBBRN COc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002965835 552236096 /nfs/dbraw/zinc/23/60/96/552236096.db2.gz PKLFUILLUVLGQN-XDHOZWIPSA-N 0 0 523.295 4.930 40 5 KJBBRN O=c1c2ccc3c(=O)n(-c4ccc(Br)cc4)c(=O)c4ccc(c(=O)n1-c1ccc(Br)cc1)c2c34 ZINC000003009381 552256238 /nfs/dbraw/zinc/25/62/38/552256238.db2.gz KCNMIXIWCJOGMQ-UHFFFAOYSA-N 0 0 576.200 4.569 40 5 KJBBRN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000003020588 552263662 /nfs/dbraw/zinc/26/36/62/552263662.db2.gz NFFDCRWDZCETHQ-UHFFFAOYSA-N 0 0 570.557 4.629 40 5 KJBBRN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003044896 552275562 /nfs/dbraw/zinc/27/55/62/552275562.db2.gz MWABGMOWPYSTGE-UHFFFAOYSA-N 0 0 552.908 4.911 40 5 KJBBRN CCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])c5c([N+](=O)[O-])ccc(c45)C3=O)cc2)cc1 ZINC000003044903 552275600 /nfs/dbraw/zinc/27/56/00/552275600.db2.gz BCTIUBRRWJEFDM-UHFFFAOYSA-N 0 0 562.516 4.656 40 5 KJBBRN CCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)cc1 ZINC000003044942 552275668 /nfs/dbraw/zinc/27/56/68/552275668.db2.gz HWBXKDXSIYNLAX-UHFFFAOYSA-N 0 0 562.516 4.656 40 5 KJBBRN O=C(COC(=O)c1ccc2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000003097303 552287417 /nfs/dbraw/zinc/28/74/17/552287417.db2.gz XMKRHUYIBFSPHK-UHFFFAOYSA-N 0 0 542.456 4.736 40 5 KJBBRN O=C(CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000003100915 552288117 /nfs/dbraw/zinc/28/81/17/552288117.db2.gz HHGXBLGMFKVQAS-UHFFFAOYSA-N 0 0 511.357 4.787 40 5 KJBBRN O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3cccc([N+](=O)[O-])c3)C4=O)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000003142747 552295056 /nfs/dbraw/zinc/29/50/56/552295056.db2.gz MYIQUNCEUPNHFJ-UHFFFAOYSA-N 0 0 534.440 4.771 40 5 KJBBRN Cc1ccccc1-n1c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2c2ccccc2c1=O ZINC000003325036 552356867 /nfs/dbraw/zinc/35/68/67/552356867.db2.gz FTBCXUWUGITFTF-UHFFFAOYSA-N 0 0 520.958 4.634 40 5 KJBBRN COC(=O)CN(c1ccc2cc3ccc(N(CC(=O)OC)S(=O)(=O)c4ccc(C)cc4)cc3nc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000004235190 552451263 /nfs/dbraw/zinc/45/12/63/552451263.db2.gz NNGUEMQPHFURQP-UHFFFAOYSA-N 0 0 661.758 4.741 40 5 KJBBRN O=[N+]([O-])c1ccc(S(=O)(=O)n2c3cc(Cl)c(Cl)cc3nc2Sc2ncccc2[N+](=O)[O-])cc1 ZINC000004235675 552451793 /nfs/dbraw/zinc/45/17/93/552451793.db2.gz GSOSLSWERQTMRN-UHFFFAOYSA-N 0 0 526.339 4.943 40 5 KJBBRN FC(F)(F)c1nnc2sc3c(Cl)c4nn5c(nnc5C(F)(F)F)sc4c(Cl)c3nn21 ZINC000004293375 552457288 /nfs/dbraw/zinc/45/72/88/552457288.db2.gz GLUINJDFTGNSMH-UHFFFAOYSA-N 0 0 505.216 4.898 40 5 KJBBRN CCOC(=O)c1cc(Cl)cc2c(=O)c3c(O)c4[nH]c5c(C(=O)OCC)cc(Cl)cc5c(=O)c4c(O)c3[nH]c12 ZINC000005386038 552500247 /nfs/dbraw/zinc/50/02/47/552500247.db2.gz UFDQCGUOFNGVJI-UHFFFAOYSA-N 0 0 557.342 4.747 40 5 KJBBRN Cn1c2ccccc2c(=O)c2cc(NC(=O)/C=C\C(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 ZINC000005615572 552505471 /nfs/dbraw/zinc/50/54/71/552505471.db2.gz VTLNGJBQBICLHU-NXVVXOECSA-N 0 0 528.568 4.830 40 5 KJBBRN Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1CC(=O)C(=O)Nc1ccc(Cl)cc1C ZINC000005812486 552510116 /nfs/dbraw/zinc/51/01/16/552510116.db2.gz DYHXRAWINWIWSQ-UHFFFAOYSA-N 0 0 587.372 4.927 40 5 KJBBRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000006089301 552531284 /nfs/dbraw/zinc/53/12/84/552531284.db2.gz LLBNVCHUBOHQBJ-UHFFFAOYSA-N 0 0 547.593 4.545 40 5 KJBBRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000006089305 552531304 /nfs/dbraw/zinc/53/13/04/552531304.db2.gz FGSOAKBSRMDOIK-UHFFFAOYSA-N 0 0 547.593 4.540 40 5 KJBBRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1)c1ccccc1 ZINC000006089312 552531225 /nfs/dbraw/zinc/53/12/25/552531225.db2.gz HQALCGCVGFDGSC-UHFFFAOYSA-N 0 0 531.594 4.839 40 5 KJBBRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006089578 552532332 /nfs/dbraw/zinc/53/23/32/552532332.db2.gz AFKXQGWUKLPYGN-UHFFFAOYSA-N 0 0 503.540 4.750 40 5 KJBBRN COc1cc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC ZINC000006136345 552541678 /nfs/dbraw/zinc/54/16/78/552541678.db2.gz KKWMVJGTNNXSNB-UHFFFAOYSA-N 0 0 521.555 4.599 40 5 KJBBRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000006136529 552542146 /nfs/dbraw/zinc/54/21/46/552542146.db2.gz NIXJYWXDLOKNAK-UHFFFAOYSA-N 0 0 521.555 4.599 40 5 KJBBRN CCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(I)ccc12 ZINC000006143821 1067207491 /nfs/dbraw/zinc/20/74/91/1067207491.db2.gz FAJIPOHSVCNMMJ-UHFFFAOYSA-N 0 0 526.334 4.829 40 5 KJBBRN CCOCCCn1c(=O)c2c3nc4ccccc4nc3n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2nc1CC ZINC000006150834 1067207555 /nfs/dbraw/zinc/20/75/55/1067207555.db2.gz YYQMOKIGBDYUMG-UHFFFAOYSA-N 0 0 506.950 4.834 40 5 KJBBRN O=C(NC1CCCCC1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(I)ccc12 ZINC000006151002 1067207546 /nfs/dbraw/zinc/20/75/46/1067207546.db2.gz DBAPLOPVPXSSEM-UHFFFAOYSA-N 0 0 537.361 4.544 40 5 KJBBRN COc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc(OC)c1OC ZINC000006177168 552559823 /nfs/dbraw/zinc/55/98/23/552559823.db2.gz OLDGVOWQIGFKGK-INIZCTEOSA-N 0 0 535.582 4.988 40 5 KJBBRN COc1cc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc(OC)c1OC ZINC000006177398 552560501 /nfs/dbraw/zinc/56/05/01/552560501.db2.gz OLDGVOWQIGFKGK-MRXNPFEDSA-N 0 0 535.582 4.988 40 5 KJBBRN COc1cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)cc(OC)c1OC ZINC000006194290 552566005 /nfs/dbraw/zinc/56/60/05/552566005.db2.gz GUTRXFGYCXYBAH-UHFFFAOYSA-N 0 0 535.582 4.908 40 5 KJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)cc1OC ZINC000006194292 552565985 /nfs/dbraw/zinc/56/59/85/552565985.db2.gz MQSYIEITJKWKIF-UHFFFAOYSA-N 0 0 505.556 4.899 40 5 KJBBRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000006280075 552575938 /nfs/dbraw/zinc/57/59/38/552575938.db2.gz CZLKJHKPFAJFKQ-UHFFFAOYSA-N 0 0 503.540 4.668 40 5 KJBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000006280082 552576231 /nfs/dbraw/zinc/57/62/31/552576231.db2.gz JDZHEALMNIITAY-UHFFFAOYSA-N 0 0 505.556 4.802 40 5 KJBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 ZINC000006280749 552576681 /nfs/dbraw/zinc/57/66/81/552576681.db2.gz QRZCPZVOVBHNPZ-UHFFFAOYSA-N 0 0 505.556 4.802 40 5 KJBBRN COc1cc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc(OC)c1OC ZINC000006280755 552576751 /nfs/dbraw/zinc/57/67/51/552576751.db2.gz KTAQDSCBLRCIJG-UHFFFAOYSA-N 0 0 535.582 4.908 40 5 KJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1OC ZINC000006280760 552576707 /nfs/dbraw/zinc/57/67/07/552576707.db2.gz RQCDWGGZQMZCLH-UHFFFAOYSA-N 0 0 505.556 4.899 40 5 KJBBRN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000006280861 552577002 /nfs/dbraw/zinc/57/70/02/552577002.db2.gz PJWAXBKANUDDDK-UHFFFAOYSA-N 0 0 505.556 4.802 40 5 KJBBRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC ZINC000006280867 552576976 /nfs/dbraw/zinc/57/69/76/552576976.db2.gz XEZFMYOTQDBANK-UHFFFAOYSA-N 0 0 505.556 4.899 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000006289390 552578874 /nfs/dbraw/zinc/57/88/74/552578874.db2.gz YTDCCLXIKGQDGE-GIJQJNRQSA-N 0 0 560.466 4.883 40 5 KJBBRN COc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] ZINC000006297649 552579696 /nfs/dbraw/zinc/57/96/96/552579696.db2.gz PETOWSBCVJPZLQ-UHFFFAOYSA-N 0 0 522.430 4.878 40 5 KJBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C1CCCCC1 ZINC000006444727 552587085 /nfs/dbraw/zinc/58/70/85/552587085.db2.gz LDJXIJGUKADOSF-UHFFFAOYSA-N 0 0 562.652 4.597 40 5 KJBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(-c2nc3cc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)ccc3[nH]2)cc1 ZINC000006445963 552588370 /nfs/dbraw/zinc/58/83/70/552588370.db2.gz USESRYLCFLNZJR-UHFFFAOYSA-N 0 0 574.465 4.648 40 5 KJBBRN CCCCOC(=O)c1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(C(=O)OCCCC)cc5)c(=O)c5ccc(c2=O)c3c45)cc1 ZINC000006480718 552593608 /nfs/dbraw/zinc/59/36/08/552593608.db2.gz XICNCPDTISTDGH-UHFFFAOYSA-N 0 0 618.642 4.958 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000006489078 552595169 /nfs/dbraw/zinc/59/51/69/552595169.db2.gz HIUZTMXPNJIWJH-AQIZGWBQSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000006489085 552595144 /nfs/dbraw/zinc/59/51/44/552595144.db2.gz RLTAQCZEVXKNMZ-AQIZGWBQSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006489090 552595130 /nfs/dbraw/zinc/59/51/30/552595130.db2.gz RLTAQCZEVXKNMZ-ZDGAQAAHSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000006489232 552595600 /nfs/dbraw/zinc/59/56/00/552595600.db2.gz WYNZAPUDSRRVEM-MGSPXPDISA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000006489251 552595602 /nfs/dbraw/zinc/59/56/02/552595602.db2.gz WYNZAPUDSRRVEM-XPCGLTFESA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006545192 552598422 /nfs/dbraw/zinc/59/84/22/552598422.db2.gz DPBDCALHDKXFTH-ZSJKCPIUSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006545197 552598468 /nfs/dbraw/zinc/59/84/68/552598468.db2.gz DPBDCALHDKXFTH-QARYAGPDSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)c1c(NC(=O)COc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)sc2c1CCCC2 ZINC000006599668 552601336 /nfs/dbraw/zinc/60/13/36/552601336.db2.gz AEXNFTKZLFKYCS-UHFFFAOYSA-N 0 0 523.567 4.982 40 5 KJBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 ZINC000006600337 552602552 /nfs/dbraw/zinc/60/25/52/552602552.db2.gz BRUZRUFNNQBCLC-CYBMUJFWSA-N 0 0 542.643 4.900 40 5 KJBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 ZINC000006600338 552602575 /nfs/dbraw/zinc/60/25/75/552602575.db2.gz BRUZRUFNNQBCLC-ZDUSSCGKSA-N 0 0 542.643 4.900 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(Cl)cc1 ZINC000006906632 552978393 /nfs/dbraw/zinc/97/83/93/552978393.db2.gz TVLVEYKTFCKGQA-UHFFFAOYSA-N 0 0 523.958 4.935 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1cccc(Cl)c1 ZINC000006906634 552978423 /nfs/dbraw/zinc/97/84/23/552978423.db2.gz IQSCISGSWCLIIA-UHFFFAOYSA-N 0 0 523.958 4.935 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl ZINC000006906643 552978356 /nfs/dbraw/zinc/97/83/56/552978356.db2.gz BAVXFVBJYZIHOE-UHFFFAOYSA-N 0 0 523.958 4.935 40 5 KJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000007060231 552982894 /nfs/dbraw/zinc/98/28/94/552982894.db2.gz NTJWOBXBTNZRPC-UHFFFAOYSA-N 0 0 509.422 4.718 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008399956 553002955 /nfs/dbraw/zinc/00/29/55/553002955.db2.gz WITJVPMKTCMVKA-WYQLEPPDSA-N 0 0 612.683 4.973 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008399958 553002883 /nfs/dbraw/zinc/00/28/83/553002883.db2.gz WITJVPMKTCMVKA-PVPFEYIBSA-N 0 0 612.683 4.973 40 5 KJBBRN CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000008683937 553112827 /nfs/dbraw/zinc/11/28/27/553112827.db2.gz OXCBQOPFOZXGFU-FYSMJZIKSA-N 0 0 535.644 4.675 40 5 KJBBRN CCCC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008721567 553129421 /nfs/dbraw/zinc/12/94/21/553129421.db2.gz UTEAFPXTMLQYLI-MJSQZNGASA-N 0 0 509.562 4.984 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000008741579 553132871 /nfs/dbraw/zinc/13/28/71/553132871.db2.gz NILNZZSEIZWHAH-BDTNDASRSA-N 0 0 521.551 4.501 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000008741592 553132854 /nfs/dbraw/zinc/13/28/54/553132854.db2.gz ULOLGBZDOHNAAX-BDTNDASRSA-N 0 0 521.551 4.501 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1Nc1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccc(O)cc1)C3=O ZINC000008742363 553133350 /nfs/dbraw/zinc/13/33/50/553133350.db2.gz VRPMNOHRVSZEKM-UHFFFAOYSA-N 0 0 500.423 4.915 40 5 KJBBRN COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1OC ZINC000008792151 553147455 /nfs/dbraw/zinc/14/74/55/553147455.db2.gz ZTNRUJPLXJDQQF-KRWDZBQOSA-N 0 0 507.546 4.693 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1OC ZINC000008792152 553147457 /nfs/dbraw/zinc/14/74/57/553147457.db2.gz ZTNRUJPLXJDQQF-QGZVFWFLSA-N 0 0 507.546 4.693 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)Nc6cccc(C(C)=O)c6)ccc5n(c43)c(=O)c2c1OC ZINC000008792157 553147503 /nfs/dbraw/zinc/14/75/03/553147503.db2.gz YPGXXQIIPDWIJJ-UHFFFAOYSA-N 0 0 521.529 4.829 40 5 biogenic KJBBRN C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008792177 553147537 /nfs/dbraw/zinc/14/75/37/553147537.db2.gz ZAESDFFLBNJMPH-IBGZPJMESA-N 0 0 520.564 4.847 40 5 biogenic KJBBRN C[C@@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008792179 553147533 /nfs/dbraw/zinc/14/75/33/553147533.db2.gz ZAESDFFLBNJMPH-LJQANCHMSA-N 0 0 520.564 4.847 40 5 biogenic KJBBRN COc1cccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000008792203 553147460 /nfs/dbraw/zinc/14/74/60/553147460.db2.gz ZCDGOCDRQQWLII-UHFFFAOYSA-N 0 0 509.518 4.635 40 5 biogenic KJBBRN COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1 ZINC000008792207 553147507 /nfs/dbraw/zinc/14/75/07/553147507.db2.gz GNWOKHZZWPKMNQ-UHFFFAOYSA-N 0 0 509.518 4.635 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c(OC)c1 ZINC000008792208 553147510 /nfs/dbraw/zinc/14/75/10/553147510.db2.gz WSJXSWHEQAKNIR-KRWDZBQOSA-N 0 0 507.546 4.693 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c(OC)c1 ZINC000008792210 553147493 /nfs/dbraw/zinc/14/74/93/553147493.db2.gz WSJXSWHEQAKNIR-QGZVFWFLSA-N 0 0 507.546 4.693 40 5 biogenic KJBBRN C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)N1CCN(c2ccccc2)CC1 ZINC000008792246 553147490 /nfs/dbraw/zinc/14/74/90/553147490.db2.gz SWXQGSBMPBAZNK-FQEVSTJZSA-N 0 0 502.574 4.708 40 5 biogenic KJBBRN C[C@@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)N1CCN(c2ccccc2)CC1 ZINC000008792248 553147526 /nfs/dbraw/zinc/14/75/26/553147526.db2.gz SWXQGSBMPBAZNK-HXUWFJFHSA-N 0 0 502.574 4.708 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792253 553147735 /nfs/dbraw/zinc/14/77/35/553147735.db2.gz NBWIHEJJZSNGMR-SFHVURJKSA-N 0 0 521.573 4.735 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792254 553147720 /nfs/dbraw/zinc/14/77/20/553147720.db2.gz NBWIHEJJZSNGMR-GOSISDBHSA-N 0 0 521.573 4.735 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCCCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792263 553147748 /nfs/dbraw/zinc/14/77/48/553147748.db2.gz GHTIKSWHSHJXRX-UHFFFAOYSA-N 0 0 521.573 4.737 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792280 553147737 /nfs/dbraw/zinc/14/77/37/553147737.db2.gz UWXNXZAWEDAOSZ-KRWDZBQOSA-N 0 0 507.546 4.693 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCc6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792281 553147758 /nfs/dbraw/zinc/14/77/58/553147758.db2.gz UWXNXZAWEDAOSZ-QGZVFWFLSA-N 0 0 507.546 4.693 40 5 biogenic KJBBRN O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008792309 553147698 /nfs/dbraw/zinc/14/76/98/553147698.db2.gz ARAGUBVEFNMYSY-UHFFFAOYSA-N 0 0 522.992 4.973 40 5 biogenic KJBBRN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1OC ZINC000008792326 553147716 /nfs/dbraw/zinc/14/77/16/553147716.db2.gz WWVBACBAKVMJTL-SFHVURJKSA-N 0 0 521.573 4.735 40 5 biogenic KJBBRN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1OC ZINC000008792328 553147722 /nfs/dbraw/zinc/14/77/22/553147722.db2.gz WWVBACBAKVMJTL-GOSISDBHSA-N 0 0 521.573 4.735 40 5 biogenic KJBBRN COc1ccc2c3nc(C(=O)N4CCN(c5ccccc5)CC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008792376 553147689 /nfs/dbraw/zinc/14/76/89/553147689.db2.gz NHGKPMWNQIMOGS-UHFFFAOYSA-N 0 0 518.573 4.572 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)N[C@@H](C)c6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792380 553147711 /nfs/dbraw/zinc/14/77/11/553147711.db2.gz OLTVIIHJWMTJOZ-KRWDZBQOSA-N 0 0 507.546 4.865 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)N[C@H](C)c6ccccc6)ccc5n(c43)c(=O)c2c1OC ZINC000008792381 553147686 /nfs/dbraw/zinc/14/76/86/553147686.db2.gz OLTVIIHJWMTJOZ-QGZVFWFLSA-N 0 0 507.546 4.865 40 5 biogenic KJBBRN O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008830122 553157941 /nfs/dbraw/zinc/15/79/41/553157941.db2.gz VPRXUYOVNXDRRE-LQWHRVPQSA-N 0 0 509.824 4.817 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(OCc2ccccc2)cc1 ZINC000008832721 553158364 /nfs/dbraw/zinc/15/83/64/553158364.db2.gz HWLQIAIGVFTQBN-UHFFFAOYSA-N 0 0 511.003 4.664 40 5 KJBBRN Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832874 553158618 /nfs/dbraw/zinc/15/86/18/553158618.db2.gz VQVMQIVPCZDJSD-UHFFFAOYSA-N 0 0 507.309 4.895 40 5 KJBBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1C ZINC000008832981 553159046 /nfs/dbraw/zinc/15/90/46/553159046.db2.gz KTZZVFWXPWNNJU-UHFFFAOYSA-N 0 0 503.172 4.564 40 5 KJBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008832992 553159031 /nfs/dbraw/zinc/15/90/31/553159031.db2.gz WIKWVSYCQVGLDG-UHFFFAOYSA-N 0 0 502.556 4.915 40 5 KJBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008832993 553159022 /nfs/dbraw/zinc/15/90/22/553159022.db2.gz VXLITBBRYCDBCM-UHFFFAOYSA-N 0 0 502.556 4.915 40 5 KJBBRN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008832995 553159026 /nfs/dbraw/zinc/15/90/26/553159026.db2.gz ZWLMLTWLLGOHRB-UHFFFAOYSA-N 0 0 502.556 4.915 40 5 KJBBRN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008832998 553159049 /nfs/dbraw/zinc/15/90/49/553159049.db2.gz QIENELXCSMHBHY-UHFFFAOYSA-N 0 0 502.556 4.915 40 5 KJBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833000 553158989 /nfs/dbraw/zinc/15/89/89/553158989.db2.gz NXBCFSXTXRTKKC-UHFFFAOYSA-N 0 0 503.584 4.964 40 5 KJBBRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833163 553159744 /nfs/dbraw/zinc/15/97/44/553159744.db2.gz UAKDKADDSQATNI-UHFFFAOYSA-N 0 0 503.540 4.836 40 5 KJBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833165 553159736 /nfs/dbraw/zinc/15/97/36/553159736.db2.gz PRQDTJCVEBAJMH-UHFFFAOYSA-N 0 0 503.540 4.836 40 5 KJBBRN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008833169 553159845 /nfs/dbraw/zinc/15/98/45/553159845.db2.gz APYANJNLQWXCKC-UHFFFAOYSA-N 0 0 515.599 4.673 40 5 KJBBRN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008833170 553159842 /nfs/dbraw/zinc/15/98/42/553159842.db2.gz YJSXVAGTARQCSS-UHFFFAOYSA-N 0 0 515.599 4.618 40 5 KJBBRN Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1 ZINC000008833173 553159833 /nfs/dbraw/zinc/15/98/33/553159833.db2.gz ZEHFUNWPPZBVPY-UHFFFAOYSA-N 0 0 503.584 4.883 40 5 KJBBRN COc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000008835421 553161945 /nfs/dbraw/zinc/16/19/45/553161945.db2.gz STNZYABKRGQVNC-UHFFFAOYSA-N 0 0 506.009 4.984 40 5 KJBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008835424 553161957 /nfs/dbraw/zinc/16/19/57/553161957.db2.gz SWCIXCMXJHSWQF-UHFFFAOYSA-N 0 0 512.573 4.744 40 5 KJBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1[N+](=O)[O-] ZINC000008835477 553162179 /nfs/dbraw/zinc/16/21/79/553162179.db2.gz YWALXNURUDHDAP-UHFFFAOYSA-N 0 0 512.345 4.996 40 5 KJBBRN Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cccc1[N+](=O)[O-] ZINC000008835478 553162174 /nfs/dbraw/zinc/16/21/74/553162174.db2.gz MPIFVZXUIIPZJD-UHFFFAOYSA-N 0 0 512.345 4.996 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000008835482 553162141 /nfs/dbraw/zinc/16/21/41/553162141.db2.gz AVURMELLBLQWBK-UHFFFAOYSA-N 0 0 503.588 4.610 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008835483 553162152 /nfs/dbraw/zinc/16/21/52/553162152.db2.gz MKYHMSKILOYYTO-UHFFFAOYSA-N 0 0 503.588 4.610 40 5 KJBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000008835514 553162161 /nfs/dbraw/zinc/16/21/61/553162161.db2.gz IOFHKYDAIKSULU-UHFFFAOYSA-N 0 0 509.247 4.653 40 5 KJBBRN Cc1c(C(=O)NC(=S)Nc2ccc(I)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000008835515 553162351 /nfs/dbraw/zinc/16/23/51/553162351.db2.gz HLISISJKLABYCK-UHFFFAOYSA-N 0 0 509.247 4.653 40 5 KJBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1OC ZINC000008835624 553162393 /nfs/dbraw/zinc/16/23/93/553162393.db2.gz OOLUCKMTQHHYNR-UHFFFAOYSA-N 0 0 513.620 4.849 40 5 KJBBRN O=c1c2ccc3c(=O)n(-c4ccccc4)c(=O)c4c(NC5CCCCC5)cc(c(=O)n1-c1ccccc1)c2c34 ZINC000008870391 553171442 /nfs/dbraw/zinc/17/14/42/553171442.db2.gz UYJOXGLTKKUPAM-UHFFFAOYSA-N 0 0 515.569 4.789 40 5 KJBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000008894113 553177556 /nfs/dbraw/zinc/17/75/56/553177556.db2.gz GPBWOZNUSURFBM-UHFFFAOYSA-N 0 0 507.391 4.925 40 5 KJBBRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008900200 553181404 /nfs/dbraw/zinc/18/14/04/553181404.db2.gz QTTWVHRRHLPIPI-UHFFFAOYSA-N 0 0 500.559 4.760 40 5 KJBBRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000008901941 553182284 /nfs/dbraw/zinc/18/22/84/553182284.db2.gz ROOLMZBWWFKENY-UHFFFAOYSA-N 0 0 513.598 4.718 40 5 KJBBRN COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1OC ZINC000008903896 553183248 /nfs/dbraw/zinc/18/32/48/553183248.db2.gz DAYZJGUSTOVNSD-UHFFFAOYSA-N 0 0 504.499 4.509 40 5 KJBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000008904417 553183372 /nfs/dbraw/zinc/18/33/72/553183372.db2.gz DNOIVUDURAJRJW-UHFFFAOYSA-N 0 0 514.026 4.795 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(C)cc1 ZINC000009056491 553204406 /nfs/dbraw/zinc/20/44/06/553204406.db2.gz OVCVTXGVJROCDV-UHFFFAOYSA-N 0 0 503.540 4.590 40 5 KJBBRN O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009057065 553204391 /nfs/dbraw/zinc/20/43/91/553204391.db2.gz PKAOEAIGCUJCHC-UHFFFAOYSA-N 0 0 501.318 4.997 40 5 KJBBRN Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)Nc4ccccc4[N+](=O)[O-])n3C)cc12 ZINC000009058495 553204921 /nfs/dbraw/zinc/20/49/21/553204921.db2.gz QTBBYEJCKZIGHR-UHFFFAOYSA-N 0 0 505.585 4.830 40 5 KJBBRN CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1OCC ZINC000009062370 553204959 /nfs/dbraw/zinc/20/49/59/553204959.db2.gz YBEZSGUYYXARQO-UHFFFAOYSA-N 0 0 517.498 4.947 40 5 KJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000009062373 553204974 /nfs/dbraw/zinc/20/49/74/553204974.db2.gz ITGAZSPWRJMHCU-UHFFFAOYSA-N 0 0 508.288 4.912 40 5 KJBBRN CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1OCC ZINC000009062388 553204979 /nfs/dbraw/zinc/20/49/79/553204979.db2.gz YHQIWYDOUJFYOK-UHFFFAOYSA-N 0 0 517.498 4.947 40 5 KJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000009062394 553205030 /nfs/dbraw/zinc/20/50/30/553205030.db2.gz IMMZYTMIYYULJE-UHFFFAOYSA-N 0 0 508.288 4.912 40 5 KJBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000009062415 553205034 /nfs/dbraw/zinc/20/50/34/553205034.db2.gz KKABEBMLCRZBGS-UHFFFAOYSA-N 0 0 508.288 4.912 40 5 KJBBRN CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062445 553204971 /nfs/dbraw/zinc/20/49/71/553204971.db2.gz JAEAGRCGYMRMEZ-UHFFFAOYSA-N 0 0 502.512 4.576 40 5 KJBBRN CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000009062464 553204991 /nfs/dbraw/zinc/20/49/91/553204991.db2.gz IIJYPPWLLKPVAV-UHFFFAOYSA-N 0 0 502.512 4.576 40 5 KJBBRN O=C(CCC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000009062491 553204965 /nfs/dbraw/zinc/20/49/65/553204965.db2.gz IOKPUZGXFNCMOL-UHFFFAOYSA-N 0 0 501.524 4.967 40 5 KJBBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000009232405 553223660 /nfs/dbraw/zinc/22/36/60/553223660.db2.gz AWQCNMXIEWQIPN-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000009232568 553223886 /nfs/dbraw/zinc/22/38/86/553223886.db2.gz PBBDCDSTRJVIHM-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000009312515 553240419 /nfs/dbraw/zinc/24/04/19/553240419.db2.gz VPRXUYOVNXDRRE-WFXMLNOXSA-N 0 0 509.824 4.612 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000009329461 553242476 /nfs/dbraw/zinc/24/24/76/553242476.db2.gz GMBBJCGUZTZBPE-VPBXCIAMSA-N 0 0 513.937 4.955 40 5 KJBBRN CC(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009349768 553244948 /nfs/dbraw/zinc/24/49/48/553244948.db2.gz ZMDOZOHHCXQZTJ-YKKMPQLRSA-N 0 0 513.937 4.810 40 5 KJBBRN COc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000009359009 553247934 /nfs/dbraw/zinc/24/79/34/553247934.db2.gz HXEWDDRSXPSICH-BDTNDASRSA-N 0 0 514.321 4.961 40 5 KJBBRN COc1ccc(C(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 ZINC000009359853 553248236 /nfs/dbraw/zinc/24/82/36/553248236.db2.gz QKOKFEDFPJKHSQ-JLLPCOHGSA-N 0 0 506.356 4.843 40 5 KJBBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 ZINC000009359857 553248166 /nfs/dbraw/zinc/24/81/66/553248166.db2.gz QKOKFEDFPJKHSQ-UARRHKHWSA-N 0 0 506.356 4.843 40 5 KJBBRN CC(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009460893 553266913 /nfs/dbraw/zinc/26/69/13/553266913.db2.gz ZMDOZOHHCXQZTJ-MEWSVHOLSA-N 0 0 513.937 4.810 40 5 KJBBRN CCOc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1 ZINC000009694128 553299453 /nfs/dbraw/zinc/29/94/53/553299453.db2.gz RURIVYYDLYCTTG-UHFFFAOYSA-N 0 0 521.595 4.577 40 5 KJBBRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12 ZINC000010010290 553325472 /nfs/dbraw/zinc/32/54/72/553325472.db2.gz RPCQRDGBQVCINB-UHFFFAOYSA-N 0 0 507.576 4.575 40 5 KJBBRN O=C(COc1ccc(Cl)cc1Cl)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010039711 553326456 /nfs/dbraw/zinc/32/64/56/553326456.db2.gz QKNQWLOXOUJCKF-XMMPIXPASA-N 0 0 517.321 4.564 40 5 KJBBRN O=C(COc1ccc(Cl)cc1Cl)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010039712 553326451 /nfs/dbraw/zinc/32/64/51/553326451.db2.gz QKNQWLOXOUJCKF-DEOSSOPVSA-N 0 0 517.321 4.564 40 5 KJBBRN O=C(Oc1ccccc1)c1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000010040670 553326618 /nfs/dbraw/zinc/32/66/18/553326618.db2.gz HSYBFQPKENKAEQ-UHFFFAOYSA-N 0 0 503.488 4.866 40 5 KJBBRN O=C(Oc1ccccc1)c1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010041048 553326672 /nfs/dbraw/zinc/32/66/72/553326672.db2.gz JUIKHAASRBCGBD-UHFFFAOYSA-N 0 0 503.488 4.866 40 5 KJBBRN O=C(COc1ccc(Cl)cc1Cl)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010041147 553326640 /nfs/dbraw/zinc/32/66/40/553326640.db2.gz RJLALOWLAAFUSQ-UHFFFAOYSA-N 0 0 505.310 4.932 40 5 KJBBRN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000010042044 553326975 /nfs/dbraw/zinc/32/69/75/553326975.db2.gz IVBHIRBNPHGIBE-UHFFFAOYSA-N 0 0 502.504 4.899 40 5 KJBBRN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010042100 553327127 /nfs/dbraw/zinc/32/71/27/553327127.db2.gz BEZXFDYCXGUILA-UHFFFAOYSA-N 0 0 502.504 4.899 40 5 KJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010692127 553337847 /nfs/dbraw/zinc/33/78/47/553337847.db2.gz KQWLYXIPCLCTNI-UHFFFAOYSA-N 0 0 506.795 4.736 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@@H]2C1=O ZINC000012017339 553350264 /nfs/dbraw/zinc/35/02/64/553350264.db2.gz ULOLGBZDOHNAAX-FSSWDIPSSA-N 0 0 521.551 4.501 40 5 KJBBRN COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)Sc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000012274165 553356161 /nfs/dbraw/zinc/35/61/61/553356161.db2.gz GSWDFBUOACIXFW-OAHLLOKOSA-N 0 0 513.384 4.882 40 5 KJBBRN COC(=O)[C@H](Cc1ccc(Cl)cc1Cl)Sc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000012274166 553356129 /nfs/dbraw/zinc/35/61/29/553356129.db2.gz GSWDFBUOACIXFW-HNNXBMFYSA-N 0 0 513.384 4.882 40 5 KJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N[C@@H](c2ccc(Br)cc2)[C@@H]1[N+](=O)[O-] ZINC000012437014 553366485 /nfs/dbraw/zinc/36/64/85/553366485.db2.gz HUTRAJQDESQABB-MHORFTMASA-N 0 0 513.186 4.914 40 5 KJBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 ZINC000012470093 553368129 /nfs/dbraw/zinc/36/81/29/553368129.db2.gz AAGMCUGPAHXQER-UHFFFAOYSA-N 0 0 511.560 4.636 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000012490085 553380299 /nfs/dbraw/zinc/38/02/99/553380299.db2.gz YQOAXJRXANQHKF-CQSZACIVSA-N 0 0 503.606 4.848 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000012490089 553380328 /nfs/dbraw/zinc/38/03/28/553380328.db2.gz YQOAXJRXANQHKF-AWEZNQCLSA-N 0 0 503.606 4.848 40 5 KJBBRN O=c1c2cccc3cccc(c23)/c1=N/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000012532564 553386809 /nfs/dbraw/zinc/38/68/09/553386809.db2.gz ZLONAUKYVBIVMO-VYIQYICTSA-N 0 0 506.927 4.519 40 5 KJBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000012643175 553408576 /nfs/dbraw/zinc/40/85/76/553408576.db2.gz PPFHOKJCQDARNZ-UHFFFAOYSA-N 0 0 508.560 4.560 40 5 KJBBRN O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000013143052 553454499 /nfs/dbraw/zinc/45/44/99/553454499.db2.gz VPRXUYOVNXDRRE-LVCYWYKZSA-N 0 0 509.824 4.612 40 5 KJBBRN COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000013148331 553455760 /nfs/dbraw/zinc/45/57/60/553455760.db2.gz OFDSWZGCIWFWHE-AWAHKVBHSA-N 0 0 505.483 4.769 40 5 KJBBRN COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000013148333 553455813 /nfs/dbraw/zinc/45/58/13/553455813.db2.gz OFDSWZGCIWFWHE-VOSIASRASA-N 0 0 505.483 4.769 40 5 KJBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013401224 553458967 /nfs/dbraw/zinc/45/89/67/553458967.db2.gz XHLGXGDKUFMPHB-UHFFFAOYSA-N 0 0 503.920 4.918 40 5 KJBBRN Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)n3C)cc12 ZINC000013401683 553459045 /nfs/dbraw/zinc/45/90/45/553459045.db2.gz AIKVLNMXSLDNEU-UHFFFAOYSA-N 0 0 505.585 4.830 40 5 KJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N[C@@H](c2cccc(Br)c2)[C@@H]1[N+](=O)[O-] ZINC000013403495 553459106 /nfs/dbraw/zinc/45/91/06/553459106.db2.gz SYQOCZQEGKASDM-MHORFTMASA-N 0 0 513.186 4.914 40 5 KJBBRN Cc1cc(C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000013562368 553471853 /nfs/dbraw/zinc/47/18/53/553471853.db2.gz CSDPZAWOGXIHKG-DEOSSOPVSA-N 0 0 504.539 4.577 40 5 KJBBRN Cc1cc(C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000013562369 553472074 /nfs/dbraw/zinc/47/20/74/553472074.db2.gz CSDPZAWOGXIHKG-XMMPIXPASA-N 0 0 504.539 4.577 40 5 KJBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)c5ccccc5c4=O)c3)CC2)cc1Cl ZINC000013632918 553478699 /nfs/dbraw/zinc/47/86/99/553478699.db2.gz ZBMNDCJBPVIJEL-UHFFFAOYSA-N 0 0 517.973 4.527 40 5 KJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013677316 553483081 /nfs/dbraw/zinc/48/30/81/553483081.db2.gz BRHHHOPXHMQQFD-UHFFFAOYSA-N 0 0 506.795 4.736 40 5 KJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013680108 553484061 /nfs/dbraw/zinc/48/40/61/553484061.db2.gz LSXFVOKONMDWOL-UHFFFAOYSA-N 0 0 506.795 4.736 40 5 KJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013680505 553484175 /nfs/dbraw/zinc/48/41/75/553484175.db2.gz KFMBTEHSGIKSLO-GFCCVEGCSA-N 0 0 506.795 4.736 40 5 KJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013680507 553484153 /nfs/dbraw/zinc/48/41/53/553484153.db2.gz KFMBTEHSGIKSLO-LBPRGKRZSA-N 0 0 506.795 4.736 40 5 KJBBRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013844315 553493253 /nfs/dbraw/zinc/49/32/53/553493253.db2.gz BYTWQVGFGHACGZ-UHFFFAOYSA-N 0 0 502.767 4.993 40 5 KJBBRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013844321 553493302 /nfs/dbraw/zinc/49/33/02/553493302.db2.gz ZCFRPOCLXUOHBB-UHFFFAOYSA-N 0 0 502.767 4.993 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000014135615 553502874 /nfs/dbraw/zinc/50/28/74/553502874.db2.gz QJORSMRECKTXOE-UHFFFAOYSA-N 0 0 510.410 4.628 40 5 KJBBRN CCOc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000014153636 553503592 /nfs/dbraw/zinc/50/35/92/553503592.db2.gz CAVVOHXDBJSHMI-UHFFFAOYSA-N 0 0 501.586 4.549 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000014154763 553504534 /nfs/dbraw/zinc/50/45/34/553504534.db2.gz QOFFDIKJISTXJN-UHFFFAOYSA-N 0 0 510.355 4.744 40 5 KJBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000014273782 553506785 /nfs/dbraw/zinc/50/67/85/553506785.db2.gz HFBLTUCROUUEGW-UHFFFAOYSA-N 0 0 505.383 4.999 40 5 KJBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014273784 553506762 /nfs/dbraw/zinc/50/67/62/553506762.db2.gz MVNFCSXKZIENJS-UHFFFAOYSA-N 0 0 505.383 4.999 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccc(OCc2ccccc2)c1 ZINC000014273791 553506765 /nfs/dbraw/zinc/50/67/65/553506765.db2.gz QBBFDFQAODLJDP-UHFFFAOYSA-N 0 0 511.003 4.664 40 5 KJBBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000014274318 553507296 /nfs/dbraw/zinc/50/72/96/553507296.db2.gz BFOZRVJAAGRFNU-UHFFFAOYSA-N 0 0 503.172 4.564 40 5 KJBBRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C ZINC000014274320 553507306 /nfs/dbraw/zinc/50/73/06/553507306.db2.gz KEBSIIULOLGNBE-UHFFFAOYSA-N 0 0 503.172 4.564 40 5 KJBBRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014274358 553507295 /nfs/dbraw/zinc/50/72/95/553507295.db2.gz GGFCZJPLVBJUFH-UHFFFAOYSA-N 0 0 515.599 4.754 40 5 KJBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274360 553507288 /nfs/dbraw/zinc/50/72/88/553507288.db2.gz VIATZPQWFGKNQW-UHFFFAOYSA-N 0 0 515.599 4.754 40 5 KJBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274367 553507368 /nfs/dbraw/zinc/50/73/68/553507368.db2.gz QNWIYWBNQZLJQM-UHFFFAOYSA-N 0 0 503.584 4.964 40 5 KJBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000014274371 553507423 /nfs/dbraw/zinc/50/74/23/553507423.db2.gz AMIYDISHLYQZDK-UHFFFAOYSA-N 0 0 507.572 4.866 40 5 KJBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274713 553507596 /nfs/dbraw/zinc/50/75/96/553507596.db2.gz DCJBHGXKXGIJEW-UHFFFAOYSA-N 0 0 502.556 4.833 40 5 KJBBRN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000014274732 553507787 /nfs/dbraw/zinc/50/77/87/553507787.db2.gz QRMFJHNSLGWCGM-UHFFFAOYSA-N 0 0 503.584 4.883 40 5 KJBBRN Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 ZINC000014274738 553507765 /nfs/dbraw/zinc/50/77/65/553507765.db2.gz FHJCTNPFTMIWJU-UHFFFAOYSA-N 0 0 503.584 4.883 40 5 KJBBRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl)c1ccco1 ZINC000014274743 553507792 /nfs/dbraw/zinc/50/77/92/553507792.db2.gz IDXQTCNCDGVQHF-UHFFFAOYSA-N 0 0 513.963 4.821 40 5 KJBBRN CCOc1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc(OCC)c1OCC ZINC000014275235 553508135 /nfs/dbraw/zinc/50/81/35/553508135.db2.gz XVTJANIYDWWTDZ-UHFFFAOYSA-N 0 0 512.382 4.680 40 5 KJBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1Br ZINC000014275237 553508027 /nfs/dbraw/zinc/50/80/27/553508027.db2.gz RCPGGLQGFDNSEX-UHFFFAOYSA-N 0 0 503.172 4.645 40 5 KJBBRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000014275251 553508092 /nfs/dbraw/zinc/50/80/92/553508092.db2.gz PODUDTYLEABFBJ-UHFFFAOYSA-N 0 0 503.172 4.564 40 5 KJBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 ZINC000014275272 553508290 /nfs/dbraw/zinc/50/82/90/553508290.db2.gz SWHNSXVNRBSMGS-UHFFFAOYSA-N 0 0 502.556 4.833 40 5 KJBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014275472 553508473 /nfs/dbraw/zinc/50/84/73/553508473.db2.gz ACLZLAMTMFTGIF-UHFFFAOYSA-N 0 0 502.556 4.833 40 5 KJBBRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014275520 553508406 /nfs/dbraw/zinc/50/84/06/553508406.db2.gz VCECQGJLUAVLKL-UHFFFAOYSA-N 0 0 501.568 4.808 40 5 KJBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000014275771 553508771 /nfs/dbraw/zinc/50/87/71/553508771.db2.gz QKDIHRGIYYRACZ-UHFFFAOYSA-N 0 0 504.572 4.725 40 5 KJBBRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000014275808 553508946 /nfs/dbraw/zinc/50/89/46/553508946.db2.gz WSSDBRCZXDJNTE-UHFFFAOYSA-N 0 0 504.572 4.896 40 5 KJBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000014276149 553509062 /nfs/dbraw/zinc/50/90/62/553509062.db2.gz LZRVHPAVURVBJC-UHFFFAOYSA-N 0 0 503.584 4.503 40 5 KJBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014276287 553509281 /nfs/dbraw/zinc/50/92/81/553509281.db2.gz AULNADQHBNVYCQ-UHFFFAOYSA-N 0 0 507.538 4.941 40 5 KJBBRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000014277075 553509955 /nfs/dbraw/zinc/50/99/55/553509955.db2.gz CTFQVDKJCDBPCJ-UHFFFAOYSA-N 0 0 510.019 4.697 40 5 KJBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278520 553510986 /nfs/dbraw/zinc/51/09/86/553510986.db2.gz QNQFSSOEPYLTNX-UHFFFAOYSA-N 0 0 500.559 4.849 40 5 KJBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278612 553510978 /nfs/dbraw/zinc/51/09/78/553510978.db2.gz XGLATGLGWHWZQA-UHFFFAOYSA-N 0 0 508.538 4.879 40 5 KJBBRN COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000014278803 553511109 /nfs/dbraw/zinc/51/11/09/553511109.db2.gz JJJKYTAYBBBDRA-UHFFFAOYSA-N 0 0 510.934 4.598 40 5 KJBBRN Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000014278839 553511064 /nfs/dbraw/zinc/51/10/64/553511064.db2.gz FYFCUYGWXQIGPV-UHFFFAOYSA-N 0 0 500.511 4.991 40 5 KJBBRN CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000014279184 553511286 /nfs/dbraw/zinc/51/12/86/553511286.db2.gz WEUXYAFRJLYDSY-UHFFFAOYSA-N 0 0 508.962 4.862 40 5 KJBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014279397 553511520 /nfs/dbraw/zinc/51/15/20/553511520.db2.gz NKOPPOVNWVCCSD-UHFFFAOYSA-N 0 0 508.962 4.862 40 5 KJBBRN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000014279430 553511465 /nfs/dbraw/zinc/51/14/65/553511465.db2.gz HYMXYTXTHHPFJO-UHFFFAOYSA-N 0 0 513.598 4.718 40 5 KJBBRN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000014291248 553511854 /nfs/dbraw/zinc/51/18/54/553511854.db2.gz APGLGCFQRQPKFH-UHFFFAOYSA-N 0 0 508.962 4.780 40 5 KJBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nn5c(C)nnc5s4)ccc3OC)o2)c([N+](=O)[O-])c1 ZINC000014291358 553511955 /nfs/dbraw/zinc/51/19/55/553511955.db2.gz DPLHNJFSAJIPRD-UHFFFAOYSA-N 0 0 506.500 4.599 40 5 KJBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000014404818 553515637 /nfs/dbraw/zinc/51/56/37/553515637.db2.gz QKULEHJMBYDMAS-UHFFFAOYSA-N 0 0 500.471 4.810 40 5 KJBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000014404953 553515631 /nfs/dbraw/zinc/51/56/31/553515631.db2.gz MRQOHASLXPUGGC-UHFFFAOYSA-N 0 0 500.471 4.810 40 5 KJBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000014405101 553515613 /nfs/dbraw/zinc/51/56/13/553515613.db2.gz ICJTZWMCPBAMSD-UHFFFAOYSA-N 0 0 500.471 4.810 40 5 KJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Br)c2)cc1 ZINC000014410836 553516083 /nfs/dbraw/zinc/51/60/83/553516083.db2.gz USQDYPQMPUJAKT-UHFFFAOYSA-N 0 0 518.389 4.808 40 5 KJBBRN CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014411843 553516418 /nfs/dbraw/zinc/51/64/18/553516418.db2.gz NZZLLVZVTVIQFZ-UHFFFAOYSA-N 0 0 503.964 4.789 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014412836 553516747 /nfs/dbraw/zinc/51/67/47/553516747.db2.gz QSWZYGSTECLGOU-KRWDZBQOSA-N 0 0 517.991 4.638 40 5 KJBBRN O=C(C[C@@H](NC(=O)c1cccc2c1cccc2[N+](=O)[O-])C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000014921814 553521519 /nfs/dbraw/zinc/52/15/19/553521519.db2.gz DYVBONGVSDFCLD-RUZDIDTESA-N 0 0 512.518 4.723 40 5 KJBBRN O=C(C[C@H](NC(=O)c1cccc2c1cccc2[N+](=O)[O-])C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000014921817 553521501 /nfs/dbraw/zinc/52/15/01/553521501.db2.gz DYVBONGVSDFCLD-VWLOTQADSA-N 0 0 512.518 4.723 40 5 KJBBRN CCOc1c(O)ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] ZINC000015015637 553525779 /nfs/dbraw/zinc/52/57/79/553525779.db2.gz KNIMJNPQDOQJIV-QGZVFWFLSA-N 0 0 506.338 4.539 40 5 KJBBRN CCOc1c(O)ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] ZINC000015015638 553525746 /nfs/dbraw/zinc/52/57/46/553525746.db2.gz KNIMJNPQDOQJIV-KRWDZBQOSA-N 0 0 506.338 4.539 40 5 KJBBRN COc1cc2ccccc2cc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016215143 553556863 /nfs/dbraw/zinc/55/68/63/553556863.db2.gz CJZNODRZYXMCIG-UHFFFAOYSA-N 0 0 518.517 4.612 40 5 KJBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1Br ZINC000016250153 553557939 /nfs/dbraw/zinc/55/79/39/553557939.db2.gz QEXHPEXNWOYXJB-UHFFFAOYSA-N 0 0 507.391 4.925 40 5 KJBBRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3O)oc2cc1C ZINC000016284187 553558647 /nfs/dbraw/zinc/55/86/47/553558647.db2.gz KQVCFFQRXBIIQS-UHFFFAOYSA-N 0 0 507.484 4.760 40 5 KJBBRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1[N+](=O)[O-] ZINC000016284526 553558675 /nfs/dbraw/zinc/55/86/75/553558675.db2.gz GTKYYEVOXCGONU-UHFFFAOYSA-N 0 0 512.551 4.926 40 5 KJBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1Br ZINC000016347846 553560808 /nfs/dbraw/zinc/56/08/08/553560808.db2.gz XWDCDCNTKXUGPB-UHFFFAOYSA-N 0 0 507.391 4.925 40 5 KJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016384221 553561923 /nfs/dbraw/zinc/56/19/23/553561923.db2.gz DCAAMOKDWFJSKL-QHHAFSJGSA-N 0 0 514.913 4.630 40 5 KJBBRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016384660 553561919 /nfs/dbraw/zinc/56/19/19/553561919.db2.gz SNICQJQYELTAJC-UHFFFAOYSA-N 0 0 510.582 4.743 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000016384663 553561873 /nfs/dbraw/zinc/56/18/73/553561873.db2.gz NWERLQHDDFLLQT-UHFFFAOYSA-N 0 0 507.321 4.757 40 5 KJBBRN O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(OCc2ccccc2)cc1 ZINC000016480368 553566020 /nfs/dbraw/zinc/56/60/20/553566020.db2.gz ARNHBALDZBIASQ-UHFFFAOYSA-N 0 0 511.003 4.664 40 5 KJBBRN O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016545093 553567520 /nfs/dbraw/zinc/56/75/20/553567520.db2.gz AMPTUOZGGORCOS-UHFFFAOYSA-N 0 0 513.495 4.517 40 5 KJBBRN O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000016545166 553567659 /nfs/dbraw/zinc/56/76/59/553567659.db2.gz GEIJJIBBUWDSEB-UHFFFAOYSA-N 0 0 507.886 4.636 40 5 KJBBRN CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016639175 553570751 /nfs/dbraw/zinc/57/07/51/553570751.db2.gz NTDZSZKVIGJFGS-UHFFFAOYSA-N 0 0 510.538 4.629 40 5 KJBBRN CCCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000016639315 553570784 /nfs/dbraw/zinc/57/07/84/553570784.db2.gz AQBILBAVYOFEHO-UHFFFAOYSA-N 0 0 510.538 4.629 40 5 KJBBRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000016681580 553572078 /nfs/dbraw/zinc/57/20/78/553572078.db2.gz ZLUHYRAYEOGSOM-UHFFFAOYSA-N 0 0 514.007 4.777 40 5 KJBBRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000016681581 553572019 /nfs/dbraw/zinc/57/20/19/553572019.db2.gz UDCBIYLZRNGASZ-UHFFFAOYSA-N 0 0 514.007 4.777 40 5 KJBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016691977 553573589 /nfs/dbraw/zinc/57/35/89/553573589.db2.gz FEFWPVJPUGDMCQ-UHFFFAOYSA-N 0 0 507.484 4.837 40 5 KJBBRN CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Br ZINC000016692122 553573774 /nfs/dbraw/zinc/57/37/74/553573774.db2.gz XBRWMHCJZGUGGE-UHFFFAOYSA-N 0 0 502.287 4.737 40 5 KJBBRN CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl ZINC000016692364 553573759 /nfs/dbraw/zinc/57/37/59/553573759.db2.gz KQYNGEMBWMNJLA-UHFFFAOYSA-N 0 0 516.929 4.503 40 5 KJBBRN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000016729441 553575601 /nfs/dbraw/zinc/57/56/01/553575601.db2.gz NFGMXNWXOWBAAO-LQWHRVPQSA-N 0 0 509.824 4.612 40 5 KJBBRN COC(=O)c1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000017023861 553586479 /nfs/dbraw/zinc/58/64/79/553586479.db2.gz RLNZGWPFIKEWQS-OCOZRVBESA-N 0 0 504.480 4.550 40 5 KJBBRN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000017838018 553600247 /nfs/dbraw/zinc/60/02/47/553600247.db2.gz JKALMILGQCTTEK-ZNZIZOMTSA-N 0 0 517.538 4.833 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000017887616 553600326 /nfs/dbraw/zinc/60/03/26/553600326.db2.gz NILNZZSEIZWHAH-FSSWDIPSSA-N 0 0 521.551 4.501 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](c4ccccc4)CC[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000017988857 553601048 /nfs/dbraw/zinc/60/10/48/553601048.db2.gz WFVIEGWPYBXRJF-BTZRARBUSA-N 0 0 512.518 4.708 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000017988860 553601185 /nfs/dbraw/zinc/60/11/85/553601185.db2.gz WFVIEGWPYBXRJF-PNTFMKQHSA-N 0 0 512.518 4.708 40 5 KJBBRN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018046390 553602037 /nfs/dbraw/zinc/60/20/37/553602037.db2.gz RXTZBZXMDAUWOR-ZNZIZOMTSA-N 0 0 517.538 4.833 40 5 KJBBRN COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C1=O ZINC000018155368 553606526 /nfs/dbraw/zinc/60/65/26/553606526.db2.gz HXEWDDRSXPSICH-FSSWDIPSSA-N 0 0 514.321 4.961 40 5 KJBBRN Cc1c(NC(=O)/C=C/c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000018210389 553610784 /nfs/dbraw/zinc/61/07/84/553610784.db2.gz LSRRNIVPNLSVDC-VAWYXSNFSA-N 0 0 515.482 4.745 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000019855948 553625526 /nfs/dbraw/zinc/62/55/26/553625526.db2.gz KTRXAQGWZCECQJ-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000019855978 553625765 /nfs/dbraw/zinc/62/57/65/553625765.db2.gz DJQIARMBTXYXMK-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN CCOc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000019856018 553625975 /nfs/dbraw/zinc/62/59/75/553625975.db2.gz MYJLTWLZGTXSON-UHFFFAOYSA-N 0 0 503.964 4.789 40 5 KJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Br)cc2)cc1 ZINC000019856059 553625963 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ZINC000020480951 553657712 /nfs/dbraw/zinc/65/77/12/553657712.db2.gz MDQDWLOVAWVSIW-VWLOTQADSA-N 0 0 511.600 4.702 40 5 KJBBRN CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000020489956 553659980 /nfs/dbraw/zinc/65/99/80/553659980.db2.gz KZVHCRXASFAHNO-XMMPIXPASA-N 0 0 511.600 4.683 40 5 KJBBRN CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000020489958 553660370 /nfs/dbraw/zinc/66/03/70/553660370.db2.gz KZVHCRXASFAHNO-DEOSSOPVSA-N 0 0 511.600 4.683 40 5 KJBBRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020509221 553668470 /nfs/dbraw/zinc/66/84/70/553668470.db2.gz OFRAIEWKVOYZFK-UHFFFAOYSA-N 0 0 508.987 4.567 40 5 KJBBRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000020528829 553669504 /nfs/dbraw/zinc/66/95/04/553669504.db2.gz RAXYSAMIKHYFQR-OVCLIPMQSA-N 0 0 525.609 4.809 40 5 KJBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000020529130 553669727 /nfs/dbraw/zinc/66/97/27/553669727.db2.gz XFVZDLAVXZTPDZ-UHFFFAOYSA-N 0 0 502.571 4.771 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 ZINC000020611030 553679076 /nfs/dbraw/zinc/67/90/76/553679076.db2.gz NCGMQYKITOHXSF-UHFFFAOYSA-N 0 0 529.601 4.572 40 5 KJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(Br)c3)o2)c([N+](=O)[O-])c1 ZINC000020611617 553679672 /nfs/dbraw/zinc/67/96/72/553679672.db2.gz ZUQNJJHDHKVZGF-UHFFFAOYSA-N 0 0 502.321 4.715 40 5 KJBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000021123673 553707292 /nfs/dbraw/zinc/70/72/92/553707292.db2.gz OFYZUTFBCZJLSP-ZRDIBKRKSA-N 0 0 514.460 4.718 40 5 KJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021123875 553707311 /nfs/dbraw/zinc/70/73/11/553707311.db2.gz RWVFEUIBNNDXJM-UHFFFAOYSA-N 0 0 514.026 4.795 40 5 KJBBRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021123945 553707297 /nfs/dbraw/zinc/70/72/97/553707297.db2.gz ROCSZALOZYXJCV-UHFFFAOYSA-N 0 0 514.026 4.795 40 5 KJBBRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021124039 553707267 /nfs/dbraw/zinc/70/72/67/553707267.db2.gz JMGHQRPZJYPDLA-UHFFFAOYSA-N 0 0 512.897 4.926 40 5 KJBBRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000021124081 553707430 /nfs/dbraw/zinc/70/74/30/553707430.db2.gz BHSWJYHPOLJIDG-OVCLIPMQSA-N 0 0 500.555 4.608 40 5 KJBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000021124120 553707480 /nfs/dbraw/zinc/70/74/80/553707480.db2.gz YKIOSFYWKDJYJU-UHFFFAOYSA-N 0 0 527.625 4.972 40 5 KJBBRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cc1[N+](=O)[O-] ZINC000021576169 553712756 /nfs/dbraw/zinc/71/27/56/553712756.db2.gz AXXFSCHQURRIOW-UHFFFAOYSA-N 0 0 500.511 4.564 40 5 KJBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000021576570 553712761 /nfs/dbraw/zinc/71/27/61/553712761.db2.gz QILSNOXFSGFVTR-UHFFFAOYSA-N 0 0 514.026 4.940 40 5 KJBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000021579827 553714174 /nfs/dbraw/zinc/71/41/74/553714174.db2.gz GIIBJPIDZNILOC-UHFFFAOYSA-N 0 0 508.962 4.780 40 5 KJBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000021579831 553714066 /nfs/dbraw/zinc/71/40/66/553714066.db2.gz OEZMHAWKIGBQRA-UHFFFAOYSA-N 0 0 508.962 4.780 40 5 KJBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 ZINC000021579841 553714423 /nfs/dbraw/zinc/71/44/23/553714423.db2.gz LCBXJAOATVNUOQ-UHFFFAOYSA-N 0 0 508.962 4.780 40 5 KJBBRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000021579911 553714349 /nfs/dbraw/zinc/71/43/49/553714349.db2.gz KETCRFFKCWKXNS-LFYBBSHMSA-N 0 0 520.973 4.871 40 5 KJBBRN Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000022061372 553725171 /nfs/dbraw/zinc/72/51/71/553725171.db2.gz MSADRWGPCQTOST-UHFFFAOYSA-N 0 0 509.614 4.603 40 5 in-man KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232342 553728725 /nfs/dbraw/zinc/72/87/25/553728725.db2.gz HYJGJLUUWBJOCP-UHFFFAOYSA-N 0 0 503.964 4.540 40 5 KJBBRN Cc1c(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000022232348 553728752 /nfs/dbraw/zinc/72/87/52/553728752.db2.gz IMWXUBPGWMVWOP-UHFFFAOYSA-N 0 0 503.964 4.540 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233278 553729232 /nfs/dbraw/zinc/72/92/32/553729232.db2.gz CFWLJDFTVRWMPS-UHFFFAOYSA-N 0 0 503.964 4.540 40 5 KJBBRN Cc1c(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000022233284 553729240 /nfs/dbraw/zinc/72/92/40/553729240.db2.gz DYRPOSBETGVCKC-UHFFFAOYSA-N 0 0 503.964 4.540 40 5 KJBBRN COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1OC ZINC000022257522 553733429 /nfs/dbraw/zinc/73/34/29/553733429.db2.gz IWBZCPDPZZMUEL-UHFFFAOYSA-N 0 0 510.547 4.711 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000022278918 553736460 /nfs/dbraw/zinc/73/64/60/553736460.db2.gz HSLIBPQUVZKFDF-UHFFFAOYSA-N 0 0 513.572 4.569 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000022278933 553736473 /nfs/dbraw/zinc/73/64/73/553736473.db2.gz LFTDWKQDDULSQE-UHFFFAOYSA-N 0 0 521.551 4.599 40 5 KJBBRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000022343804 553737775 /nfs/dbraw/zinc/73/77/75/553737775.db2.gz ACACQDQUMMSMKO-FQEVSTJZSA-N 0 0 511.600 4.601 40 5 KJBBRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000022343810 553737785 /nfs/dbraw/zinc/73/77/85/553737785.db2.gz ACACQDQUMMSMKO-HXUWFJFHSA-N 0 0 511.600 4.601 40 5 KJBBRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 ZINC000022822529 553751868 /nfs/dbraw/zinc/75/18/68/553751868.db2.gz LPUFOULMDJFPRB-UHFFFAOYSA-N 0 0 500.559 4.760 40 5 KJBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022822536 553751878 /nfs/dbraw/zinc/75/18/78/553751878.db2.gz VOMFIMWOPMYUQP-UHFFFAOYSA-N 0 0 500.559 4.849 40 5 KJBBRN CC(C)c1ccc(C=CC(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000022830335 553754653 /nfs/dbraw/zinc/75/46/53/553754653.db2.gz LZGKNDYEZRDRFI-BJMVGYQFSA-N 0 0 506.550 4.974 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000022831165 553755234 /nfs/dbraw/zinc/75/52/34/553755234.db2.gz FRBKIRCZAMAXTB-UHFFFAOYSA-N 0 0 507.321 4.757 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cc(Cl)ccc1Cl ZINC000022831170 553755246 /nfs/dbraw/zinc/75/52/46/553755246.db2.gz FRGZWMAVSLEWTM-UHFFFAOYSA-N 0 0 507.321 4.757 40 5 KJBBRN CCc1c(-c2ccc(OC)c(OC)c2)nn(Cn2nc([N+](=O)[O-])cc2C)c1-c1ccc(OC)c(OC)c1 ZINC000022831549 553755456 /nfs/dbraw/zinc/75/54/56/553755456.db2.gz ADNBIMMRKMLIKL-UHFFFAOYSA-N 0 0 507.547 4.733 40 5 KJBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022832783 553755750 /nfs/dbraw/zinc/75/57/50/553755750.db2.gz QBSGYVFOMOFNKP-UHFFFAOYSA-N 0 0 508.538 4.879 40 5 KJBBRN CC1=C(C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3nc2N1 ZINC000022832951 553755760 /nfs/dbraw/zinc/75/57/60/553755760.db2.gz IAAPLGCZBFFNSW-HHHXNRCGSA-N 0 0 508.582 4.578 40 5 KJBBRN CC1=C(C(=O)N2CCN(Cc3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3nc2N1 ZINC000022832956 553755814 /nfs/dbraw/zinc/75/58/14/553755814.db2.gz IAAPLGCZBFFNSW-MHZLTWQESA-N 0 0 508.582 4.578 40 5 KJBBRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccccc1Cl ZINC000022835200 553756526 /nfs/dbraw/zinc/75/65/26/553756526.db2.gz BNVIIMADDHUZFH-UHFFFAOYSA-N 0 0 510.934 4.598 40 5 KJBBRN CCOc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(OCC)c1OCC ZINC000022835451 553756807 /nfs/dbraw/zinc/75/68/07/553756807.db2.gz UIJHWZGTBWFUKH-UHFFFAOYSA-N 0 0 511.497 4.772 40 5 KJBBRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000022836601 553757080 /nfs/dbraw/zinc/75/70/80/553757080.db2.gz HZIOQUIHQDMSDV-UHFFFAOYSA-N 0 0 512.617 4.670 40 5 KJBBRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000022840707 553758599 /nfs/dbraw/zinc/75/85/99/553758599.db2.gz SXIWJPUKDXZBGG-UHFFFAOYSA-N 0 0 516.510 4.691 40 5 KJBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 ZINC000022842459 553759118 /nfs/dbraw/zinc/75/91/18/553759118.db2.gz VECZQNOMWBVUGR-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000022842472 553759110 /nfs/dbraw/zinc/75/91/10/553759110.db2.gz DURRCVFGHRWEQJ-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022842475 553759091 /nfs/dbraw/zinc/75/90/91/553759091.db2.gz LOSISGFHGANGFB-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2ccccc2o1 ZINC000022842480 553759125 /nfs/dbraw/zinc/75/91/25/553759125.db2.gz CMXTWDYRWIHRKP-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 ZINC000022842485 553759068 /nfs/dbraw/zinc/75/90/68/553759068.db2.gz VINLUTAVQHZRCO-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2o1 ZINC000022842490 553759066 /nfs/dbraw/zinc/75/90/66/553759066.db2.gz UVLRUAMYBAQLIN-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2c1 ZINC000022842495 553759120 /nfs/dbraw/zinc/75/91/20/553759120.db2.gz OESNMNAEJRQVMZ-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2c1 ZINC000022842500 553759094 /nfs/dbraw/zinc/75/90/94/553759094.db2.gz WOGARRCDCPGJHS-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1 ZINC000022842505 553759106 /nfs/dbraw/zinc/75/91/06/553759106.db2.gz UTAFGEQNLBJFQH-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000022843306 553759516 /nfs/dbraw/zinc/75/95/16/553759516.db2.gz FXOXKSDWHMTCMB-UHFFFAOYSA-N 0 0 518.599 4.872 40 5 KJBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000022843310 553759515 /nfs/dbraw/zinc/75/95/15/553759515.db2.gz HKJILMWZSZUOPJ-UHFFFAOYSA-N 0 0 518.599 4.872 40 5 KJBBRN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022844130 553759889 /nfs/dbraw/zinc/75/98/89/553759889.db2.gz GTNQCFYWTIIXQS-UHFFFAOYSA-N 0 0 519.608 4.835 40 5 KJBBRN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022844134 553759878 /nfs/dbraw/zinc/75/98/78/553759878.db2.gz DFRLKCWQYVEBBH-UHFFFAOYSA-N 0 0 519.608 4.835 40 5 KJBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022844143 553759903 /nfs/dbraw/zinc/75/99/03/553759903.db2.gz GFLHFRHCFPLEMU-UHFFFAOYSA-N 0 0 519.608 4.835 40 5 KJBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022844148 553759890 /nfs/dbraw/zinc/75/98/90/553759890.db2.gz OSANUOXBZYBHLX-UHFFFAOYSA-N 0 0 519.608 4.835 40 5 KJBBRN COC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000026460982 1067208174 /nfs/dbraw/zinc/20/81/74/1067208174.db2.gz AUZHFIGOZDVOAT-UHFFFAOYSA-N 0 0 500.529 4.738 40 5 KJBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000026852238 553822020 /nfs/dbraw/zinc/82/20/20/553822020.db2.gz BMLVRFOSRIQLGW-CJRSTVEYSA-N 0 0 520.973 4.530 40 5 KJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000026907029 553821922 /nfs/dbraw/zinc/82/19/22/553821922.db2.gz ODMPTMZAVMUCBV-CJRSTVEYSA-N 0 0 520.973 4.530 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000028705910 553843605 /nfs/dbraw/zinc/84/36/05/553843605.db2.gz LCVWJTOYRHDMME-LWUPDDLQSA-N 0 0 561.641 4.688 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000028705913 553843589 /nfs/dbraw/zinc/84/35/89/553843589.db2.gz LCVWJTOYRHDMME-GJFKPFFXSA-N 0 0 561.641 4.688 40 5 KJBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 ZINC000029492276 553845648 /nfs/dbraw/zinc/84/56/48/553845648.db2.gz HZWHBKUIXLHTFI-YVLHZVERSA-N 0 0 542.376 4.520 40 5 KJBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2)cc1 ZINC000030753236 553856278 /nfs/dbraw/zinc/85/62/78/553856278.db2.gz YWIRWJXWUITHAY-UHFFFAOYSA-N 0 0 524.599 4.549 40 5 KJBBRN CCSc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000030755452 553856563 /nfs/dbraw/zinc/85/65/63/553856563.db2.gz XGFXFTFDSJSKAF-UHFFFAOYSA-N 0 0 515.613 4.858 40 5 KJBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2)cc1 ZINC000030757638 553857125 /nfs/dbraw/zinc/85/71/25/553857125.db2.gz DUQADHVUDPGGBL-UHFFFAOYSA-N 0 0 509.584 4.528 40 5 KJBBRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000030848303 553857420 /nfs/dbraw/zinc/85/74/20/553857420.db2.gz GBEQUZPPDGFLPN-HAVVHWLPSA-N 0 0 507.568 4.567 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O ZINC000030864691 553859443 /nfs/dbraw/zinc/85/94/43/553859443.db2.gz CXGGIUFEKFRZJA-UHFFFAOYSA-N 0 0 523.611 4.836 40 5 KJBBRN O=C(c1ccc(-c2ccccc2)cc1)N(C(=O)c1cc(N2CCOCC2)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC000031671516 553861827 /nfs/dbraw/zinc/86/18/27/553861827.db2.gz PHQMYNMVRCXCJD-UHFFFAOYSA-N 0 0 508.534 4.981 40 5 KJBBRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccco2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 ZINC000031830084 553861968 /nfs/dbraw/zinc/86/19/68/553861968.db2.gz KCDYBKMBGMAQNS-UHFFFAOYSA-N 0 0 503.471 4.608 40 5 KJBBRN Cc1cc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115191 553864354 /nfs/dbraw/zinc/86/43/54/553864354.db2.gz MMYUUODPIPBNHK-UHFFFAOYSA-N 0 0 504.524 4.794 40 5 KJBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1OC ZINC000032115294 553864317 /nfs/dbraw/zinc/86/43/17/553864317.db2.gz KWBWNUIXLOPDIU-UHFFFAOYSA-N 0 0 509.382 4.621 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21 ZINC000032124995 553865893 /nfs/dbraw/zinc/86/58/93/553865893.db2.gz UTBVBRZBAFMJEB-BKUYFWCQSA-N 0 0 509.565 4.507 40 5 KJBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032126966 553866761 /nfs/dbraw/zinc/86/67/61/553866761.db2.gz FHWWLFICZCUDMZ-UHFFFAOYSA-N 0 0 506.496 4.836 40 5 KJBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000032127871 553866992 /nfs/dbraw/zinc/86/69/92/553866992.db2.gz CYFOKIJDHIACNQ-UHFFFAOYSA-N 0 0 506.496 4.836 40 5 KJBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032640677 553872054 /nfs/dbraw/zinc/87/20/54/553872054.db2.gz PXVVLRIAQSOASU-DOTOQJQBSA-N 0 0 505.927 4.542 40 5 KJBBRN O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032640678 553872118 /nfs/dbraw/zinc/87/21/18/553872118.db2.gz PXVVLRIAQSOASU-RDJZCZTQSA-N 0 0 505.927 4.542 40 5 KJBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032640679 553872121 /nfs/dbraw/zinc/87/21/21/553872121.db2.gz PXVVLRIAQSOASU-NVXWUHKLSA-N 0 0 505.927 4.542 40 5 KJBBRN O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032640680 553872101 /nfs/dbraw/zinc/87/21/01/553872101.db2.gz PXVVLRIAQSOASU-WBVHZDCISA-N 0 0 505.927 4.542 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccc(Cl)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354933 553932109 /nfs/dbraw/zinc/93/21/09/553932109.db2.gz RGSGDSLPOXYJLD-OGOGVGGASA-N 0 0 650.069 4.953 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccc(Cl)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354934 553932202 /nfs/dbraw/zinc/93/22/02/553932202.db2.gz RGSGDSLPOXYJLD-IQMCKEBOSA-N 0 0 650.069 4.953 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@H](c3ccc(Cl)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354935 553932107 /nfs/dbraw/zinc/93/21/07/553932107.db2.gz RGSGDSLPOXYJLD-IOMRGGENSA-N 0 0 650.069 4.953 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@H](c3ccc(Cl)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000033354936 553932233 /nfs/dbraw/zinc/93/22/33/553932233.db2.gz RGSGDSLPOXYJLD-ULCQYYMNSA-N 0 0 650.069 4.953 40 5 KJBBRN Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033389632 553958089 /nfs/dbraw/zinc/95/80/89/553958089.db2.gz SQYIKYQNWQTFJJ-UHFFFAOYSA-N 0 0 507.309 4.895 40 5 KJBBRN CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000033534692 553962051 /nfs/dbraw/zinc/96/20/51/553962051.db2.gz FUNIJNHMGHFQHT-UHFFFAOYSA-N 0 0 525.675 4.601 40 5 KJBBRN CCN1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000033638831 553965793 /nfs/dbraw/zinc/96/57/93/553965793.db2.gz LBGCZCZJGMGLDN-UHFFFAOYSA-N 0 0 514.007 4.777 40 5 KJBBRN CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Br ZINC000033658093 553966491 /nfs/dbraw/zinc/96/64/91/553966491.db2.gz OXMPDPUCKOSXKM-UHFFFAOYSA-N 0 0 517.424 4.709 40 5 KJBBRN O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000033670194 553967361 /nfs/dbraw/zinc/96/73/61/553967361.db2.gz NFGMXNWXOWBAAO-WFXMLNOXSA-N 0 0 509.824 4.612 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000033705571 553969271 /nfs/dbraw/zinc/96/92/71/553969271.db2.gz MJGQPJZSXFDPLV-UHFFFAOYSA-N 0 0 505.383 4.999 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cc(Cl)ccc1Cl ZINC000033743830 553971630 /nfs/dbraw/zinc/97/16/30/553971630.db2.gz PDBMUNYDAVIYAK-UHFFFAOYSA-N 0 0 522.458 4.729 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc2ccccc21 ZINC000033768792 553972751 /nfs/dbraw/zinc/97/27/51/553972751.db2.gz DVSIMTFGUGEKAY-UHFFFAOYSA-N 0 0 503.628 4.575 40 5 KJBBRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000033778546 553973228 /nfs/dbraw/zinc/97/32/28/553973228.db2.gz KCUTXCBJALSKBG-UHFFFAOYSA-N 0 0 514.523 4.724 40 5 KJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N[C@H](c2ccc(Br)cc2)[C@H]1[N+](=O)[O-] ZINC000033929618 553976803 /nfs/dbraw/zinc/97/68/03/553976803.db2.gz HUTRAJQDESQABB-TVFCKZIOSA-N 0 0 513.186 4.914 40 5 KJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N[C@H](c2ccc(Br)cc2)[C@@H]1[N+](=O)[O-] ZINC000033929620 553977098 /nfs/dbraw/zinc/97/70/98/553977098.db2.gz HUTRAJQDESQABB-BDXSIMOUSA-N 0 0 513.186 4.914 40 5 KJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N[C@H](c2cccc(Br)c2)[C@H]1[N+](=O)[O-] ZINC000033932206 553977367 /nfs/dbraw/zinc/97/73/67/553977367.db2.gz SYQOCZQEGKASDM-TVFCKZIOSA-N 0 0 513.186 4.914 40 5 KJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N[C@H](c2cccc(Br)c2)[C@@H]1[N+](=O)[O-] ZINC000033932207 553977364 /nfs/dbraw/zinc/97/73/64/553977364.db2.gz SYQOCZQEGKASDM-BDXSIMOUSA-N 0 0 513.186 4.914 40 5 KJBBRN O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000034702227 553993134 /nfs/dbraw/zinc/99/31/34/553993134.db2.gz IEAPKENNAIOENH-UHFFFAOYSA-N 0 0 507.816 4.963 40 5 KJBBRN O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000034721219 553996116 /nfs/dbraw/zinc/99/61/16/553996116.db2.gz GKACGKZUYLHXTQ-UHFFFAOYSA-N 0 0 505.531 4.716 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(Cl)cc1Cl ZINC000034837237 554020754 /nfs/dbraw/zinc/02/07/54/554020754.db2.gz LCZGOULSPURDIG-UHFFFAOYSA-N 0 0 522.458 4.729 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000034856136 554021479 /nfs/dbraw/zinc/02/14/79/554021479.db2.gz HFCBFQSMNVHNHF-UHFFFAOYSA-N 0 0 522.458 4.729 40 5 KJBBRN CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000035131350 554035177 /nfs/dbraw/zinc/03/51/77/554035177.db2.gz KGLUTWIRTXAVGI-UHFFFAOYSA-N 0 0 509.676 4.720 40 5 KJBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000035131877 554035185 /nfs/dbraw/zinc/03/51/85/554035185.db2.gz KHYLNBISMNLJBA-CZILXDHESA-N 0 0 510.587 4.531 40 5 KJBBRN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000035131878 554035159 /nfs/dbraw/zinc/03/51/59/554035159.db2.gz KHYLNBISMNLJBA-GCLMJIJYSA-N 0 0 510.587 4.531 40 5 KJBBRN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc2ccccc2c1 ZINC000035154139 554036458 /nfs/dbraw/zinc/03/64/58/554036458.db2.gz XIFVIPSJZXJOCA-UHFFFAOYSA-N 0 0 503.628 4.575 40 5 KJBBRN O=[N+]([O-])c1ccc(N[C@@H]2[C@H](O)[C@@H]3O[C@@H](c4ccccc4)CC[C@@H]3O[C@@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000037246242 554231036 /nfs/dbraw/zinc/23/10/36/554231036.db2.gz GIRHRWPWQOZPND-XBGJXXGBSA-N 0 0 521.526 4.506 40 5 KJBBRN O=[N+]([O-])c1ccc(N[C@H]2[C@H](OCc3ccccc3)O[C@H]3CC[C@H](c4ccccc4)O[C@H]3[C@H]2O)c([N+](=O)[O-])c1 ZINC000037246243 554231055 /nfs/dbraw/zinc/23/10/55/554231055.db2.gz GIRHRWPWQOZPND-DDURVGIBSA-N 0 0 521.526 4.506 40 5 KJBBRN O=[N+]([O-])c1ccc(N[C@H]2[C@H](O)[C@@H]3O[C@@H](c4ccccc4)CC[C@@H]3O[C@@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000037246244 554231066 /nfs/dbraw/zinc/23/10/66/554231066.db2.gz GIRHRWPWQOZPND-GUWNOZFNSA-N 0 0 521.526 4.506 40 5 KJBBRN O=[N+]([O-])c1ccc(N[C@@H]2[C@H](OCc3ccccc3)O[C@H]3CC[C@H](c4ccccc4)O[C@H]3[C@H]2O)c([N+](=O)[O-])c1 ZINC000037246245 554230991 /nfs/dbraw/zinc/23/09/91/554230991.db2.gz GIRHRWPWQOZPND-TZFYSIHZSA-N 0 0 521.526 4.506 40 5 KJBBRN O=C(CCC(=O)c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000039745248 554280014 /nfs/dbraw/zinc/28/00/14/554280014.db2.gz LWUFPYAXSZUNMB-UHFFFAOYSA-N 0 0 501.524 4.967 40 5 KJBBRN CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000039752970 554280402 /nfs/dbraw/zinc/28/04/02/554280402.db2.gz OGUGJLYMOZAHRS-UHFFFAOYSA-N 0 0 502.512 4.576 40 5 KJBBRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OCC ZINC000039757207 554280374 /nfs/dbraw/zinc/28/03/74/554280374.db2.gz VFFYGEPHXZWMAK-UHFFFAOYSA-N 0 0 517.498 4.947 40 5 KJBBRN O=C(CCC(=O)c1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039768478 554280888 /nfs/dbraw/zinc/28/08/88/554280888.db2.gz QXRHFUYDNKDBSZ-UHFFFAOYSA-N 0 0 501.524 4.967 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802970 554303554 /nfs/dbraw/zinc/30/35/54/554303554.db2.gz DWZQBODLPMDRIW-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802973 554303558 /nfs/dbraw/zinc/30/35/58/554303558.db2.gz QXFUIOBDTOAXLB-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802976 554303582 /nfs/dbraw/zinc/30/35/82/554303582.db2.gz VZXGTDPUQBYAPS-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN CCc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044802979 554303542 /nfs/dbraw/zinc/30/35/42/554303542.db2.gz XLRDJLJRFUZMNR-UHFFFAOYSA-N 0 0 517.991 4.962 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044803017 554303770 /nfs/dbraw/zinc/30/37/70/554303770.db2.gz FZFYGJGZHZRLBK-UHFFFAOYSA-N 0 0 512.028 4.557 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044803020 554303783 /nfs/dbraw/zinc/30/37/83/554303783.db2.gz FNWHGFGLCPUHBM-UHFFFAOYSA-N 0 0 507.927 4.538 40 5 KJBBRN Cc1ccc(S(=O)(=O)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000057291964 554353707 /nfs/dbraw/zinc/35/37/07/554353707.db2.gz NXOQKCIVHOCNIX-UHFFFAOYSA-N 0 0 507.528 4.501 40 5 KJBBRN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000057314101 554354328 /nfs/dbraw/zinc/35/43/28/554354328.db2.gz VSXVRRLDTSAEKV-UHFFFAOYSA-N 0 0 514.026 4.795 40 5 KJBBRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000057316349 554355048 /nfs/dbraw/zinc/35/50/48/554355048.db2.gz RDEWAKDJYKSXFW-UHFFFAOYSA-N 0 0 504.362 4.821 40 5 KJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)C(C)(C)C)CC4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057316877 554355609 /nfs/dbraw/zinc/35/56/09/554355609.db2.gz XKNLPACAIKALIQ-UHFFFAOYSA-N 0 0 507.635 4.778 40 5 KJBBRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057317156 554355899 /nfs/dbraw/zinc/35/58/99/554355899.db2.gz WSWGUZJFMHRRPC-UHFFFAOYSA-N 0 0 507.635 4.778 40 5 KJBBRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000057317211 554356142 /nfs/dbraw/zinc/35/61/42/554356142.db2.gz GSOKPULUJVEZHM-QLKAYGNNSA-N 0 0 520.973 4.871 40 5 KJBBRN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317286 554356076 /nfs/dbraw/zinc/35/60/76/554356076.db2.gz HACLOOABYSLZDL-UHFFFAOYSA-N 0 0 500.880 4.757 40 5 KJBBRN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000057328215 554356334 /nfs/dbraw/zinc/35/63/34/554356334.db2.gz NRUZBWQXQQHLRM-UHFFFAOYSA-N 0 0 516.583 4.593 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N1 ZINC000058872198 554371088 /nfs/dbraw/zinc/37/10/88/554371088.db2.gz GQXSSOWNYHSSPC-ZDQFFALBSA-N 0 0 519.623 4.610 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N1 ZINC000058872200 554371016 /nfs/dbraw/zinc/37/10/16/554371016.db2.gz GQXSSOWNYHSSPC-QKSFETHESA-N 0 0 519.623 4.610 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000058872252 554371049 /nfs/dbraw/zinc/37/10/49/554371049.db2.gz IRSKNNZKPPRWPT-ZDQFFALBSA-N 0 0 519.623 4.610 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000058872254 554371041 /nfs/dbraw/zinc/37/10/41/554371041.db2.gz IRSKNNZKPPRWPT-QKSFETHESA-N 0 0 519.623 4.610 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000059247808 554386602 /nfs/dbraw/zinc/38/66/02/554386602.db2.gz JXBDYXVPIXHXOR-LMSRTUJASA-N 0 0 591.667 4.697 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000059247810 554386915 /nfs/dbraw/zinc/38/69/15/554386915.db2.gz JXBDYXVPIXHXOR-RISWYLRJSA-N 0 0 591.667 4.697 40 5 KJBBRN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000059331426 554388675 /nfs/dbraw/zinc/38/86/75/554388675.db2.gz XFXROSMWJRKXSE-UHFFFAOYSA-N 0 0 516.645 4.829 40 5 KJBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000059331435 554388656 /nfs/dbraw/zinc/38/86/56/554388656.db2.gz AYGYVNZZMXHDNW-UHFFFAOYSA-N 0 0 523.571 4.566 40 5 KJBBRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059331445 554388638 /nfs/dbraw/zinc/38/86/38/554388638.db2.gz HLCNWGMPUVCLHI-UHFFFAOYSA-N 0 0 519.608 4.835 40 5 KJBBRN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000059331446 554388689 /nfs/dbraw/zinc/38/86/89/554388689.db2.gz VRHZCLXHJVNIBQ-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 ZINC000059331447 554388574 /nfs/dbraw/zinc/38/85/74/554388574.db2.gz HRXJKOXSKKETLZ-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059331448 554388554 /nfs/dbraw/zinc/38/85/54/554388554.db2.gz JYTAMODVKRMVMP-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059331450 554388624 /nfs/dbraw/zinc/38/86/24/554388624.db2.gz VWNPVGQHBNLYGJ-UHFFFAOYSA-N 0 0 519.608 4.835 40 5 KJBBRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000059331451 554388598 /nfs/dbraw/zinc/38/85/98/554388598.db2.gz CSNIENKHDOUZEI-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc2o1 ZINC000059331493 193894300 /nfs/dbraw/zinc/89/43/00/193894300.db2.gz SFZDHVDBPBQUPQ-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000059331494 554388842 /nfs/dbraw/zinc/38/88/42/554388842.db2.gz WYKFKTQYUPMRJZ-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000059331495 554388768 /nfs/dbraw/zinc/38/87/68/554388768.db2.gz YGJWGDSAOKHISP-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000059331557 554389341 /nfs/dbraw/zinc/38/93/41/554389341.db2.gz RJTKXVHEXSTNFK-UHFFFAOYSA-N 0 0 519.608 4.835 40 5 KJBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000059331571 554389415 /nfs/dbraw/zinc/38/94/15/554389415.db2.gz NQYIZVNRHQWJIF-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000059331579 554389477 /nfs/dbraw/zinc/38/94/77/554389477.db2.gz BTWFGEZPMNUMPK-UHFFFAOYSA-N 0 0 517.567 4.675 40 5 KJBBRN O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331596 193894522 /nfs/dbraw/zinc/89/45/22/193894522.db2.gz RTPMGSQCJVHAER-UHFFFAOYSA-N 0 0 519.562 4.585 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000059331604 554389812 /nfs/dbraw/zinc/38/98/12/554389812.db2.gz UKEQJLYTQZJEKZ-UHFFFAOYSA-N 0 0 517.615 4.919 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000059331605 554389761 /nfs/dbraw/zinc/38/97/61/554389761.db2.gz RZRMSZPTIAIXNL-UHFFFAOYSA-N 0 0 517.615 4.919 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)c(C)c1 ZINC000059331618 554389926 /nfs/dbraw/zinc/38/99/26/554389926.db2.gz LZGWWSYFYLBKTC-UHFFFAOYSA-N 0 0 517.615 4.919 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)c(C)c1 ZINC000059331619 554389958 /nfs/dbraw/zinc/38/99/58/554389958.db2.gz GNDHIUMBJYDURG-UHFFFAOYSA-N 0 0 517.615 4.919 40 5 KJBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331628 554389963 /nfs/dbraw/zinc/38/99/63/554389963.db2.gz RMZGQICAOIPUKD-UHFFFAOYSA-N 0 0 519.562 4.503 40 5 KJBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000059331642 554390257 /nfs/dbraw/zinc/39/02/57/554390257.db2.gz XNMJEBUOUSXCGB-UHFFFAOYSA-N 0 0 517.611 4.893 40 5 KJBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000059331646 554390396 /nfs/dbraw/zinc/39/03/96/554390396.db2.gz PPALSFJXUQPUFT-UHFFFAOYSA-N 0 0 523.571 4.566 40 5 KJBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000059331678 554390492 /nfs/dbraw/zinc/39/04/92/554390492.db2.gz WTKOFNUQDFMHOC-OAHLLOKOSA-N 0 0 529.688 4.633 40 5 KJBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000059331679 554390500 /nfs/dbraw/zinc/39/05/00/554390500.db2.gz WTKOFNUQDFMHOC-HNNXBMFYSA-N 0 0 529.688 4.633 40 5 KJBBRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000059331816 554391536 /nfs/dbraw/zinc/39/15/36/554391536.db2.gz PYKXZKQJXWFQAA-UHFFFAOYSA-N 0 0 531.082 4.507 40 5 KJBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000059331822 554391605 /nfs/dbraw/zinc/39/16/05/554391605.db2.gz PACIBFYELBWKFX-JXMROGBWSA-N 0 0 522.989 4.707 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000059331864 554391963 /nfs/dbraw/zinc/39/19/63/554391963.db2.gz UWYWNHJTFVMRMZ-UHFFFAOYSA-N 0 0 529.601 4.572 40 5 KJBBRN COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000059331879 554391934 /nfs/dbraw/zinc/39/19/34/554391934.db2.gz MYCMBJBMSZMHFQ-UHFFFAOYSA-N 0 0 516.510 4.691 40 5 KJBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059331942 554392290 /nfs/dbraw/zinc/39/22/90/554392290.db2.gz IFQUSXPTJNNEKN-UHFFFAOYSA-N 0 0 523.977 4.656 40 5 KJBBRN COc1ccc2c(c1)CCCN2C(=O)c1cc(C(=O)N2CCCc3cc(OC)ccc32)cc([N+](=O)[O-])c1 ZINC000059520281 554403396 /nfs/dbraw/zinc/40/33/96/554403396.db2.gz LLVXNEHKOFVBIN-UHFFFAOYSA-N 0 0 501.539 4.798 40 5 KJBBRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000059559015 554407135 /nfs/dbraw/zinc/40/71/35/554407135.db2.gz RUNALJOSUYGYKR-UHFFFAOYSA-N 0 0 510.019 4.697 40 5 KJBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000059559242 554407160 /nfs/dbraw/zinc/40/71/60/554407160.db2.gz UMVRYHRZYQBZQI-UHFFFAOYSA-N 0 0 503.578 4.909 40 5 KJBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1c(F)cccc1Cl ZINC000059652027 554419343 /nfs/dbraw/zinc/41/93/43/554419343.db2.gz XPDMGNAPVWGEPK-UHFFFAOYSA-N 0 0 538.022 4.632 40 5 KJBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000059738456 554427691 /nfs/dbraw/zinc/42/76/91/554427691.db2.gz VCGFOWHTXWVFPA-UHFFFAOYSA-N 0 0 522.430 4.634 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059852578 554451762 /nfs/dbraw/zinc/45/17/62/554451762.db2.gz NOTAMGBQMQHNJM-GOSISDBHSA-N 0 0 532.018 4.946 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059852581 554451748 /nfs/dbraw/zinc/45/17/48/554451748.db2.gz NOTAMGBQMQHNJM-SFHVURJKSA-N 0 0 532.018 4.946 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059858169 554455385 /nfs/dbraw/zinc/45/53/85/554455385.db2.gz JISYHUBXAPRAPO-UHFFFAOYSA-N 0 0 624.697 4.855 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1 ZINC000059858568 554456018 /nfs/dbraw/zinc/45/60/18/554456018.db2.gz KTTXAJSAZKCFSA-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000059882529 554458429 /nfs/dbraw/zinc/45/84/29/554458429.db2.gz QIUKGUGKGUDBLF-UHFFFAOYSA-N 0 0 601.062 4.883 40 5 KJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000059883469 554460684 /nfs/dbraw/zinc/46/06/84/554460684.db2.gz VCMRPHBBPKQRPF-UHFFFAOYSA-N 0 0 580.644 4.538 40 5 KJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059883914 554461566 /nfs/dbraw/zinc/46/15/66/554461566.db2.gz VGOQQSCJXXOPLO-UHFFFAOYSA-N 0 0 580.644 4.538 40 5 KJBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000059884404 554462393 /nfs/dbraw/zinc/46/23/93/554462393.db2.gz GCUDKGPNWQNAGD-UHFFFAOYSA-N 0 0 601.062 4.883 40 5 KJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884653 554463061 /nfs/dbraw/zinc/46/30/61/554463061.db2.gz PKVNARKKXMCERR-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000059885682 554465022 /nfs/dbraw/zinc/46/50/22/554465022.db2.gz KQUXHSMFAOSQGQ-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C ZINC000059885866 554465497 /nfs/dbraw/zinc/46/54/97/554465497.db2.gz RQCXCQVULHRVRR-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059885952 554465739 /nfs/dbraw/zinc/46/57/39/554465739.db2.gz WEOZOOKEYUMZMH-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000059886068 554466066 /nfs/dbraw/zinc/46/60/66/554466066.db2.gz PLPRSWIPBNLGQZ-UHFFFAOYSA-N 0 0 601.062 4.883 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000059886379 554466661 /nfs/dbraw/zinc/46/66/61/554466661.db2.gz XZDFBEGLCHZSST-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886800 554467423 /nfs/dbraw/zinc/46/74/23/554467423.db2.gz IYVBXZHYDKHDHN-UHFFFAOYSA-N 0 0 580.644 4.538 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000059887444 554468707 /nfs/dbraw/zinc/46/87/07/554468707.db2.gz KSRUYIVJAZSXRJ-UHFFFAOYSA-N 0 0 610.670 4.547 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000059887625 554469241 /nfs/dbraw/zinc/46/92/41/554469241.db2.gz KUIPFBJZGCSTCH-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000059887915 554470052 /nfs/dbraw/zinc/47/00/52/554470052.db2.gz LFJQQGFEJIHYTG-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888123 554470301 /nfs/dbraw/zinc/47/03/01/554470301.db2.gz YUKBDKDNFWYUFI-UHFFFAOYSA-N 0 0 580.644 4.538 40 5 KJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888570 554471612 /nfs/dbraw/zinc/47/16/12/554471612.db2.gz AOJZGTQQUKRWKM-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059924386 554475279 /nfs/dbraw/zinc/47/52/79/554475279.db2.gz ZXWGGJVURKHPHT-UHFFFAOYSA-N 0 0 584.054 4.571 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059924398 554475227 /nfs/dbraw/zinc/47/52/27/554475227.db2.gz GEZRSZBNSHICGA-UHFFFAOYSA-N 0 0 573.027 4.526 40 5 KJBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000059924667 554475793 /nfs/dbraw/zinc/47/57/93/554475793.db2.gz YLKHCVMOMHGQCF-UHFFFAOYSA-N 0 0 516.384 4.644 40 5 KJBBRN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000059930889 554480783 /nfs/dbraw/zinc/48/07/83/554480783.db2.gz GVUMYIKECYLUKP-UHFFFAOYSA-N 0 0 533.990 4.792 40 5 KJBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000059930895 554480799 /nfs/dbraw/zinc/48/07/99/554480799.db2.gz CQTWWKZYIWMVGI-UHFFFAOYSA-N 0 0 533.990 4.792 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(C)=O)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059953631 554484139 /nfs/dbraw/zinc/48/41/39/554484139.db2.gz VMWKKAVMYYEEKJ-UHFFFAOYSA-N 0 0 531.974 4.602 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059983423 554485444 /nfs/dbraw/zinc/48/54/44/554485444.db2.gz MCPBXGFKJAODFX-JOCHJYFZSA-N 0 0 544.029 4.954 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000059983427 554485429 /nfs/dbraw/zinc/48/54/29/554485429.db2.gz MCPBXGFKJAODFX-QFIPXVFZSA-N 0 0 544.029 4.954 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O ZINC000060028242 554491480 /nfs/dbraw/zinc/49/14/80/554491480.db2.gz WZJAMAPBQZRCLC-UHFFFAOYSA-N 0 0 538.626 4.858 40 5 KJBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 ZINC000060028243 554491368 /nfs/dbraw/zinc/49/13/68/554491368.db2.gz AHNUFTHYGJGRKJ-UHFFFAOYSA-N 0 0 516.384 4.644 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O ZINC000060059994 554498197 /nfs/dbraw/zinc/49/81/97/554498197.db2.gz MQLIUGVXIRXVEX-UHFFFAOYSA-N 0 0 554.625 4.558 40 5 KJBBRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000060060401 554499140 /nfs/dbraw/zinc/49/91/40/554499140.db2.gz OVQASZZRRWNQAG-UHFFFAOYSA-N 0 0 562.000 4.576 40 5 KJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000063684572 554510168 /nfs/dbraw/zinc/51/01/68/554510168.db2.gz ODMPTMZAVMUCBV-NEWJYFPISA-N 0 0 520.973 4.530 40 5 KJBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000063761285 554510468 /nfs/dbraw/zinc/51/04/68/554510468.db2.gz BMLVRFOSRIQLGW-NEWJYFPISA-N 0 0 520.973 4.530 40 5 KJBBRN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1 ZINC000070707968 553631769 /nfs/dbraw/zinc/63/17/69/553631769.db2.gz VQMCNPONNUEYLZ-SFHVURJKSA-N 0 0 551.599 4.744 40 5 biogenic KJBBRN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1 ZINC000070707971 553631786 /nfs/dbraw/zinc/63/17/86/553631786.db2.gz VQMCNPONNUEYLZ-GOSISDBHSA-N 0 0 551.599 4.744 40 5 biogenic KJBBRN COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1OC ZINC000070707973 553631753 /nfs/dbraw/zinc/63/17/53/553631753.db2.gz YDOABQAJQHCIGN-UHFFFAOYSA-N 0 0 539.544 4.644 40 5 biogenic KJBBRN COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000070708030 553631986 /nfs/dbraw/zinc/63/19/86/553631986.db2.gz BDSCBCDNSJJUJQ-UHFFFAOYSA-N 0 0 539.544 4.644 40 5 biogenic KJBBRN COc1cc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc(OC)c1 ZINC000070708035 553631998 /nfs/dbraw/zinc/63/19/98/553631998.db2.gz MCDGFSLZOLWLPX-UHFFFAOYSA-N 0 0 539.544 4.644 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)Nc6ccc7c(c6)OCO7)ccc5n(c43)c(=O)c2c1OC ZINC000070708038 553631995 /nfs/dbraw/zinc/63/19/95/553631995.db2.gz XJIACZZZGWNIAU-HNNXBMFYSA-N 0 0 537.528 4.744 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)Nc6ccc7c(c6)OCO7)ccc5n(c43)c(=O)c2c1OC ZINC000070708040 553632001 /nfs/dbraw/zinc/63/20/01/553632001.db2.gz XJIACZZZGWNIAU-OAHLLOKOSA-N 0 0 537.528 4.744 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)Nc6ccc(NC(C)=O)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708045 553632038 /nfs/dbraw/zinc/63/20/38/553632038.db2.gz XNUPDBTXULRSTE-INIZCTEOSA-N 0 0 550.571 4.974 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)Nc6ccc(NC(C)=O)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708047 553632004 /nfs/dbraw/zinc/63/20/04/553632004.db2.gz XNUPDBTXULRSTE-MRXNPFEDSA-N 0 0 550.571 4.974 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c(OC)c1 ZINC000070708101 553632036 /nfs/dbraw/zinc/63/20/36/553632036.db2.gz LZVJZBXMEOLZOL-KRWDZBQOSA-N 0 0 567.598 4.710 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c(OC)c1 ZINC000070708106 553632032 /nfs/dbraw/zinc/63/20/32/553632032.db2.gz LZVJZBXMEOLZOL-QGZVFWFLSA-N 0 0 567.598 4.710 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1OC ZINC000070708121 553632048 /nfs/dbraw/zinc/63/20/48/553632048.db2.gz NISBEOMXVKXPGR-KRWDZBQOSA-N 0 0 567.598 4.710 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1OC ZINC000070708126 553632045 /nfs/dbraw/zinc/63/20/45/553632045.db2.gz NISBEOMXVKXPGR-QGZVFWFLSA-N 0 0 567.598 4.710 40 5 biogenic KJBBRN COc1ccc2c3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000070708150 553632306 /nfs/dbraw/zinc/63/23/06/553632306.db2.gz YREGIMPPOBPMNW-UHFFFAOYSA-N 0 0 536.563 4.711 40 5 biogenic KJBBRN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1OC ZINC000070708192 553632323 /nfs/dbraw/zinc/63/23/23/553632323.db2.gz YNXUUGHFHGXAPY-SFHVURJKSA-N 0 0 581.625 4.753 40 5 biogenic KJBBRN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1OC ZINC000070708195 553632253 /nfs/dbraw/zinc/63/22/53/553632253.db2.gz YNXUUGHFHGXAPY-GOSISDBHSA-N 0 0 581.625 4.753 40 5 biogenic KJBBRN COc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000070708228 553632309 /nfs/dbraw/zinc/63/23/09/553632309.db2.gz VALOHJBUXUGJGV-KRWDZBQOSA-N 0 0 537.572 4.701 40 5 biogenic KJBBRN COc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c1 ZINC000070708233 553632258 /nfs/dbraw/zinc/63/22/58/553632258.db2.gz VALOHJBUXUGJGV-QGZVFWFLSA-N 0 0 537.572 4.701 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)Nc6ccc(CCO)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708282 553632539 /nfs/dbraw/zinc/63/25/39/553632539.db2.gz ADHNHQJJAZZXGA-KRWDZBQOSA-N 0 0 537.572 4.550 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)Nc6ccc(CCO)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708284 553632542 /nfs/dbraw/zinc/63/25/42/553632542.db2.gz ADHNHQJJAZZXGA-QGZVFWFLSA-N 0 0 537.572 4.550 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)N6CCN(c7cccc(Cl)c7)CC6)ccc5n(c43)c(=O)c2c1OC ZINC000070708286 553632559 /nfs/dbraw/zinc/63/25/59/553632559.db2.gz RLBZAZYRJWNEFC-UHFFFAOYSA-N 0 0 583.044 4.990 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1 ZINC000070708336 553632556 /nfs/dbraw/zinc/63/25/56/553632556.db2.gz ZNJPSMMNUUREGT-KRWDZBQOSA-N 0 0 537.572 4.701 40 5 biogenic KJBBRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)cc1 ZINC000070708341 553632594 /nfs/dbraw/zinc/63/25/94/553632594.db2.gz ZNJPSMMNUUREGT-QGZVFWFLSA-N 0 0 537.572 4.701 40 5 biogenic KJBBRN COc1ccc2c3nc(C(=O)N4CCN(Cc5ccccc5)CC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000070708346 553632501 /nfs/dbraw/zinc/63/25/01/553632501.db2.gz RGOLQSXSXLSPLU-UHFFFAOYSA-N 0 0 532.600 4.567 40 5 biogenic KJBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000070708351 553632530 /nfs/dbraw/zinc/63/25/30/553632530.db2.gz APYQDMVPWIGFPT-INIZCTEOSA-N 0 0 549.539 4.571 40 5 biogenic KJBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)c1 ZINC000070708354 553632519 /nfs/dbraw/zinc/63/25/19/553632519.db2.gz APYQDMVPWIGFPT-MRXNPFEDSA-N 0 0 549.539 4.571 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)NCCc6c[nH]c7ccccc67)ccc5n(c43)c(=O)c2c1OC ZINC000070708389 553632875 /nfs/dbraw/zinc/63/28/75/553632875.db2.gz AKOBAAVKTXVJBF-UHFFFAOYSA-N 0 0 546.583 4.828 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)N6CCN(c7ccccc7)CC6)ccc5n(c43)c(=O)c2c1OC ZINC000070708396 553632816 /nfs/dbraw/zinc/63/28/16/553632816.db2.gz KYRAEWBZDPEQCJ-FQEVSTJZSA-N 0 0 562.626 4.725 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)N6CCN(c7ccccc7)CC6)ccc5n(c43)c(=O)c2c1OC ZINC000070708401 553632798 /nfs/dbraw/zinc/63/27/98/553632798.db2.gz KYRAEWBZDPEQCJ-HXUWFJFHSA-N 0 0 562.626 4.725 40 5 biogenic KJBBRN COc1ccc(CCNC(=O)c2cc3c4ccccc4n4c3c(n2)c2ccc(OC)c(OC)c2c4=O)cc1OC ZINC000070708421 553632805 /nfs/dbraw/zinc/63/28/05/553632805.db2.gz YHJWDZZGUIRARC-UHFFFAOYSA-N 0 0 537.572 4.599 40 5 biogenic KJBBRN COc1ccc2c3nccc4c5cc(OCC(=O)Nc6ccc(NC(C)=O)cc6)ccc5n(c43)c(=O)c2c1OC ZINC000070708445 553632813 /nfs/dbraw/zinc/63/28/13/553632813.db2.gz YGDSMPROYDWJSW-UHFFFAOYSA-N 0 0 536.544 4.585 40 5 biogenic KJBBRN COc1ccc(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2c4ccc(OC)c2OC)c(OC)c1 ZINC000070708451 553632822 /nfs/dbraw/zinc/63/28/22/553632822.db2.gz YFDJDHMKFOLPLJ-UHFFFAOYSA-N 0 0 539.544 4.644 40 5 biogenic KJBBRN COc1ccc2c3nc(C(=O)N4CCN(c5ccccc5F)CC4)cc4c5ccccc5n(c43)c(=O)c2c1OC ZINC000070708463 553632835 /nfs/dbraw/zinc/63/28/35/553632835.db2.gz YZVAPZYSDFSANY-UHFFFAOYSA-N 0 0 536.563 4.711 40 5 biogenic KJBBRN CC(=O)Oc1cc2c(cc1OC(C)=O)c1cc(OC(C)=O)c(OC(C)=O)cc1c1cc(OC(C)=O)c(OC(C)=O)cc21 ZINC000072099670 553640135 /nfs/dbraw/zinc/64/01/35/553640135.db2.gz YTKHQSUTXVUOGK-UHFFFAOYSA-N 0 0 576.510 4.698 40 5 KJBBRN COc1cc(C2C(C(=O)Nc3ccc([N+](=O)[O-])cc3)=C(C)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000073242798 553652375 /nfs/dbraw/zinc/65/23/75/553652375.db2.gz UEWMXXOFLIOKDF-UHFFFAOYSA-N 0 0 559.535 4.729 40 5 KJBBRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 ZINC000073352567 553653598 /nfs/dbraw/zinc/65/35/98/553653598.db2.gz AQIIQIGWKQCXPC-UHFFFAOYSA-N 0 0 557.519 4.744 40 5 KJBBRN Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000077301185 553661051 /nfs/dbraw/zinc/66/10/51/553661051.db2.gz JOLLULXEPUYESM-UHFFFAOYSA-N 0 0 509.614 4.603 40 5 in-vitro KJBBRN Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000077301188 553660950 /nfs/dbraw/zinc/66/09/50/553660950.db2.gz MFKGVMIUOYNDCV-UHFFFAOYSA-N 0 0 525.613 4.616 40 5 in-vitro KJBBRN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)C[C@H]12 ZINC000079199012 553669340 /nfs/dbraw/zinc/66/93/40/553669340.db2.gz VVLXPESSYNCTFQ-DVKBMCPXSA-N 0 0 580.486 4.744 40 5 KJBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095676295 553707203 /nfs/dbraw/zinc/70/72/03/553707203.db2.gz NCVMLEHVHNBXJD-UHFFFAOYSA-N 0 0 502.317 4.894 40 5 KJBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095676384 1067210454 /nfs/dbraw/zinc/21/04/54/1067210454.db2.gz VNPSHEXYKCKVOJ-UHFFFAOYSA-N 0 0 528.278 4.881 40 5 KJBBRN COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c([N+](=O)[O-])c1 ZINC000095749677 553712835 /nfs/dbraw/zinc/71/28/35/553712835.db2.gz MYUZNGCMCUGSFG-ZETCQYMHSA-N 0 0 742.953 4.820 40 5 KJBBRN COc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c([N+](=O)[O-])c1 ZINC000095749679 553712808 /nfs/dbraw/zinc/71/28/08/553712808.db2.gz MYUZNGCMCUGSFG-SSDOTTSWSA-N 0 0 742.953 4.820 40 5 KJBBRN COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000097656179 553758851 /nfs/dbraw/zinc/75/88/51/553758851.db2.gz OFDSWZGCIWFWHE-ADKBVKQTSA-N 0 0 505.483 4.769 40 5 KJBBRN COc1ccc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000097656185 553758930 /nfs/dbraw/zinc/75/89/30/553758930.db2.gz OFDSWZGCIWFWHE-BHVONHDVSA-N 0 0 505.483 4.769 40 5 KJBBRN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)N(CCCn3nc(C)c([N+](=O)[O-])c3C)C2=S)cc1 ZINC000097948897 553797586 /nfs/dbraw/zinc/79/75/86/553797586.db2.gz JBOAWYCSFKVALT-QHCPKHFHSA-N 0 0 613.096 4.659 40 5 KJBBRN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)N(CCCn3nc(C)c([N+](=O)[O-])c3C)C2=S)cc1 ZINC000097948898 553797666 /nfs/dbraw/zinc/79/76/66/553797666.db2.gz JBOAWYCSFKVALT-HSZRJFAPSA-N 0 0 613.096 4.659 40 5 KJBBRN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097954184 553821882 /nfs/dbraw/zinc/82/18/82/553821882.db2.gz JXJTWXJZSZYYJA-VABKMULXSA-N 0 0 522.355 4.971 40 5 KJBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000097954683 553824626 /nfs/dbraw/zinc/82/46/26/553824626.db2.gz CULCPBQILUMGDD-QKDODKLFSA-N 0 0 535.512 4.865 40 5 KJBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000097954729 553824955 /nfs/dbraw/zinc/82/49/55/553824955.db2.gz NHTXPMUVVKFOGS-KCHLEUMXSA-N 0 0 549.539 4.861 40 5 KJBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000097954748 553825401 /nfs/dbraw/zinc/82/54/01/553825401.db2.gz KGBLZUFTTAWBDC-QKDODKLFSA-N 0 0 535.512 4.865 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000097954864 553826123 /nfs/dbraw/zinc/82/61/23/553826123.db2.gz ZHOHUBOBSUQXHY-FKBYEOEOSA-N 0 0 542.317 4.556 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)c1 ZINC000098000063 554048390 /nfs/dbraw/zinc/04/83/90/554048390.db2.gz HOOJZYRVUJCISB-LSQMVHIFSA-N 0 0 598.406 4.911 40 5 KJBBRN CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000098005269 554058020 /nfs/dbraw/zinc/05/80/20/554058020.db2.gz GTFJPILXYPXNTN-MHZLTWQESA-N 0 0 531.590 4.901 40 5 KJBBRN CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000098005270 554058246 /nfs/dbraw/zinc/05/82/46/554058246.db2.gz GTFJPILXYPXNTN-HHHXNRCGSA-N 0 0 531.590 4.901 40 5 KJBBRN Cc1cc(C)n(-c2cc(N3CCN(C(=O)C45C[C@H]6C[C@H](CC(Br)(C6)C4)C5)CC3)ccc2[N+](=O)[O-])n1 ZINC000098042761 554122016 /nfs/dbraw/zinc/12/20/16/554122016.db2.gz PJWXTGWSMIJBJH-ADXLDGDMSA-N 0 0 542.478 4.780 40 5 KJBBRN O=C(COC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1 ZINC000100025022 554183306 /nfs/dbraw/zinc/18/33/06/554183306.db2.gz FBHVJLKXYVHPRZ-UHFFFAOYSA-N 0 0 528.271 4.558 40 5 KJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C(=O)OCC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000100032761 554187192 /nfs/dbraw/zinc/18/71/92/554187192.db2.gz MBHCDQTYPFQILF-UHFFFAOYSA-N 0 0 542.298 4.866 40 5 KJBBRN O=C(CSc1nnc(-c2ccc(I)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100062108 554198993 /nfs/dbraw/zinc/19/89/93/554198993.db2.gz FVWIGRBMFBCJRT-UHFFFAOYSA-N 0 0 516.704 4.634 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100062327 554199276 /nfs/dbraw/zinc/19/92/76/554199276.db2.gz ZPEKNSKCMJPMMY-MGSPXPDISA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100062332 554199273 /nfs/dbraw/zinc/19/92/73/554199273.db2.gz ZPEKNSKCMJPMMY-XPCGLTFESA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100065367 554199753 /nfs/dbraw/zinc/19/97/53/554199753.db2.gz OKOPLPUWZQYXAR-JAYSWQADSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100065371 554199768 /nfs/dbraw/zinc/19/97/68/554199768.db2.gz OKOPLPUWZQYXAR-KEQCBNTKSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000100072612 554202364 /nfs/dbraw/zinc/20/23/64/554202364.db2.gz UHAKQXDLJHXAFW-UHFFFAOYSA-N 0 0 576.027 4.884 40 5 KJBBRN CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000100073783 554203113 /nfs/dbraw/zinc/20/31/13/554203113.db2.gz QSKFZSQZDRZBIC-UHFFFAOYSA-N 0 0 533.990 4.798 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100079188 554205672 /nfs/dbraw/zinc/20/56/72/554205672.db2.gz DYWAFRXZBASRHH-UHFFFAOYSA-N 0 0 532.018 4.510 40 5 KJBBRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000100081799 554207253 /nfs/dbraw/zinc/20/72/53/554207253.db2.gz FXYPIZNWZHSHTN-UHFFFAOYSA-N 0 0 562.000 4.576 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100087359 554209542 /nfs/dbraw/zinc/20/95/42/554209542.db2.gz CKHNICMIILUVAL-KRWDZBQOSA-N 0 0 530.002 4.738 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100087366 554209561 /nfs/dbraw/zinc/20/95/61/554209561.db2.gz CKHNICMIILUVAL-QGZVFWFLSA-N 0 0 530.002 4.738 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100087896 554209689 /nfs/dbraw/zinc/20/96/89/554209689.db2.gz CUQCNZBVEFILEU-FNUHDPNESA-N 0 0 600.472 4.791 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100087899 554209732 /nfs/dbraw/zinc/20/97/32/554209732.db2.gz CUQCNZBVEFILEU-PZDOZLBDSA-N 0 0 600.472 4.791 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100089252 554210053 /nfs/dbraw/zinc/21/00/53/554210053.db2.gz CQWQEEMQWFQWNI-UHFFFAOYSA-N 0 0 530.002 4.740 40 5 KJBBRN Cc1cc(Br)cc(Br)c1OCC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000100097759 554219225 /nfs/dbraw/zinc/21/92/25/554219225.db2.gz MKZKJTCWIMRNDK-UHFFFAOYSA-N 0 0 547.631 4.809 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100177901 554241155 /nfs/dbraw/zinc/24/11/55/554241155.db2.gz IMMDYUUEUFIUOC-JLHDDXNDSA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100177903 554241108 /nfs/dbraw/zinc/24/11/08/554241108.db2.gz IMMDYUUEUFIUOC-PYCBVSLESA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100217451 554251229 /nfs/dbraw/zinc/25/12/29/554251229.db2.gz PKWRTMOASZGPNI-PRLWALMFSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100217453 554251201 /nfs/dbraw/zinc/25/12/01/554251201.db2.gz PKWRTMOASZGPNI-FUFNRSNVSA-N 0 0 603.653 4.762 40 5 KJBBRN COc1cc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000100248670 554261790 /nfs/dbraw/zinc/26/17/90/554261790.db2.gz FPCWNSPIZDHIEW-ZDLGFXPLSA-N 0 0 525.315 4.646 40 5 KJBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C[C@@H]2CCCO2)cc1Cl ZINC000100258139 554264970 /nfs/dbraw/zinc/26/49/70/554264970.db2.gz JHKZJHQCLJOGJH-IBGZPJMESA-N 0 0 531.038 4.978 40 5 KJBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C[C@H]2CCCO2)cc1Cl ZINC000100258144 554264852 /nfs/dbraw/zinc/26/48/52/554264852.db2.gz JHKZJHQCLJOGJH-LJQANCHMSA-N 0 0 531.038 4.978 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100277462 554275269 /nfs/dbraw/zinc/27/52/69/554275269.db2.gz SLTDRAUYIHUELY-CBYYHRJHSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100277465 554275274 /nfs/dbraw/zinc/27/52/74/554275274.db2.gz SLTDRAUYIHUELY-PNZYDNNZSA-N 0 0 580.018 4.629 40 5 KJBBRN O=C1[C@@H]2CC(c3ccccc3)=C3[C@@H]([C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H]1C=C[C@H]3[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 ZINC000100283027 554277068 /nfs/dbraw/zinc/27/70/68/554277068.db2.gz YFWYOSOEEHFARG-ZPYRHYKOSA-N 0 0 616.586 4.704 40 5 KJBBRN 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ZINC000100303692 554292182 /nfs/dbraw/zinc/29/21/82/554292182.db2.gz ZVLPBVIHSKXJJG-ITNPZBTBSA-N 0 0 608.676 4.718 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100303697 554292153 /nfs/dbraw/zinc/29/21/53/554292153.db2.gz ZVLPBVIHSKXJJG-UAMLYEQYSA-N 0 0 608.676 4.718 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100305167 554293290 /nfs/dbraw/zinc/29/32/90/554293290.db2.gz QZGJMUPFTAQOAF-ITNPZBTBSA-N 0 0 608.676 4.718 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100305172 554293295 /nfs/dbraw/zinc/29/32/95/554293295.db2.gz QZGJMUPFTAQOAF-UAMLYEQYSA-N 0 0 608.676 4.718 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100306740 554295105 /nfs/dbraw/zinc/29/51/05/554295105.db2.gz AQTJWHJASGOGIA-AQIZGWBQSA-N 0 0 580.018 4.629 40 5 KJBBRN 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ZINC000100504336 554407331 /nfs/dbraw/zinc/40/73/31/554407331.db2.gz RPRXEJGRPVKYRN-UHFFFAOYSA-N 0 0 551.471 4.808 40 5 KJBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Cc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000100543069 554413400 /nfs/dbraw/zinc/41/34/00/554413400.db2.gz AVVVBEARGHKVDG-UHFFFAOYSA-N 0 0 548.467 4.695 40 5 KJBBRN Cc1c([N+](=O)[O-])cc(C(=O)Oc2c(Br)cc(C(=S)N3CCOCC3)cc2Br)cc1[N+](=O)[O-] ZINC000100543631 554413416 /nfs/dbraw/zinc/41/34/16/554413416.db2.gz LYSXPDWVVDEDDU-UHFFFAOYSA-N 0 0 589.218 4.563 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(I)c1OC(=O)CC ZINC000100553226 554415419 /nfs/dbraw/zinc/41/54/19/554415419.db2.gz JIMQNRWVPYCTHC-NVNXTCNLSA-N 0 0 570.723 4.911 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc(I)c1OC(=O)CC ZINC000100553227 554415443 /nfs/dbraw/zinc/41/54/43/554415443.db2.gz ODUWITFUYRLICV-PXNMLYILSA-N 0 0 570.723 4.911 40 5 KJBBRN CSCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000100630415 554435487 /nfs/dbraw/zinc/43/54/87/554435487.db2.gz IYOPCPHPSUPNQU-MWVOZXJSSA-N 0 0 527.602 4.547 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000100766377 554469863 /nfs/dbraw/zinc/46/98/63/554469863.db2.gz NILNZZSEIZWHAH-FKBYEOEOSA-N 0 0 521.551 4.501 40 5 KJBBRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100766380 554469888 /nfs/dbraw/zinc/46/98/88/554469888.db2.gz NILNZZSEIZWHAH-VSKRKVRLSA-N 0 0 521.551 4.501 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4)O[C@@H]3C1=O)CCCC2 ZINC000100766422 554469910 /nfs/dbraw/zinc/46/99/10/554469910.db2.gz YOOHXOKNVQNNGU-SGNDLWITSA-N 0 0 547.589 4.763 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)C1=O)CCCC2 ZINC000100766430 554469848 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ZINC000100933034 554527916 /nfs/dbraw/zinc/52/79/16/554527916.db2.gz KACQPOJYQJKAKN-UHFFFAOYSA-N 0 0 522.501 4.921 40 5 KJBBRN CCOc1cc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc(OCC)c1OCC ZINC000100957928 554540907 /nfs/dbraw/zinc/54/09/07/554540907.db2.gz VIOPRYWXCBRKOW-UHFFFAOYSA-N 0 0 570.590 4.647 40 5 KJBBRN Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000100980011 554547413 /nfs/dbraw/zinc/54/74/13/554547413.db2.gz SQXJAJFATBGHNR-UHFFFAOYSA-N 0 0 588.625 4.520 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]23)C1O ZINC000101064482 554572011 /nfs/dbraw/zinc/57/20/11/554572011.db2.gz DETZSMXXXYDDKV-QVQNZMNRSA-N 0 0 558.388 4.938 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]23)C1O ZINC000101064484 554571970 /nfs/dbraw/zinc/57/19/70/554571970.db2.gz DETZSMXXXYDDKV-CGBRIMPHSA-N 0 0 558.388 4.938 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@H]23)C1O ZINC000101064488 554572020 /nfs/dbraw/zinc/57/20/20/554572020.db2.gz DETZSMXXXYDDKV-WUEDSLEZSA-N 0 0 558.388 4.938 40 5 KJBBRN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000101076221 554577824 /nfs/dbraw/zinc/57/78/24/554577824.db2.gz ZXJBMEMWLWKZSN-NEWJYFPISA-N 0 0 544.361 4.756 40 5 KJBBRN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1cccc([N+](=O)[O-])c1 ZINC000101076223 554577819 /nfs/dbraw/zinc/57/78/19/554577819.db2.gz ZXJBMEMWLWKZSN-CJRSTVEYSA-N 0 0 544.361 4.756 40 5 KJBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101097006 554584828 /nfs/dbraw/zinc/58/48/28/554584828.db2.gz XDJVBOVYZPVUFC-VJBWXMMDSA-N 0 0 544.347 4.970 40 5 KJBBRN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101101606 554638884 /nfs/dbraw/zinc/63/88/84/554638884.db2.gz JXJTWXJZSZYYJA-VJBWXMMDSA-N 0 0 522.355 4.971 40 5 KJBBRN COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 ZINC000101103718 554639401 /nfs/dbraw/zinc/63/94/01/554639401.db2.gz AQOYDHJEJLNPBB-UHFFFAOYSA-N 0 0 561.598 4.932 40 5 KJBBRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000101104547 554639697 /nfs/dbraw/zinc/63/96/97/554639697.db2.gz AOHHPULUMUHPMT-UHFFFAOYSA-N 0 0 603.539 4.567 40 5 KJBBRN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101108143 554640481 /nfs/dbraw/zinc/64/04/81/554640481.db2.gz RXTZBZXMDAUWOR-GSDHBNRESA-N 0 0 517.538 4.833 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@@H]3C1=O)CCCC2 ZINC000101125580 554644874 /nfs/dbraw/zinc/64/48/74/554644874.db2.gz RKULNISVQLWWTA-SGNDLWITSA-N 0 0 547.589 4.763 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000101125586 554644832 /nfs/dbraw/zinc/64/48/32/554644832.db2.gz RKULNISVQLWWTA-HJOGWXRNSA-N 0 0 547.589 4.763 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)C1=O)CCCC2 ZINC000101125589 554644819 /nfs/dbraw/zinc/64/48/19/554644819.db2.gz RKULNISVQLWWTA-SMIHKQSGSA-N 0 0 547.589 4.763 40 5 KJBBRN CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000101125592 554644866 /nfs/dbraw/zinc/64/48/66/554644866.db2.gz RKULNISVQLWWTA-VXNXHJTFSA-N 0 0 547.589 4.763 40 5 KJBBRN O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000101148586 554656539 /nfs/dbraw/zinc/65/65/39/554656539.db2.gz FUCOEGJNEHLVTR-UHFFFAOYSA-N 0 0 566.389 4.790 40 5 KJBBRN O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101152747 554657794 /nfs/dbraw/zinc/65/77/94/554657794.db2.gz CULCPBQILUMGDD-PVHODMMVSA-N 0 0 535.512 4.865 40 5 KJBBRN O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000101159030 554659380 /nfs/dbraw/zinc/65/93/80/554659380.db2.gz NHTXPMUVVKFOGS-PKTNWEFCSA-N 0 0 549.539 4.861 40 5 KJBBRN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101173430 554662240 /nfs/dbraw/zinc/66/22/40/554662240.db2.gz JKALMILGQCTTEK-GSDHBNRESA-N 0 0 517.538 4.833 40 5 KJBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101174731 554662436 /nfs/dbraw/zinc/66/24/36/554662436.db2.gz SMCKRAPUDIDSSG-PVHODMMVSA-N 0 0 525.517 4.816 40 5 KJBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101176766 554664532 /nfs/dbraw/zinc/66/45/32/554664532.db2.gz KTGJPNGCODAZTE-VJBWXMMDSA-N 0 0 538.354 4.725 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 ZINC000101181468 554667097 /nfs/dbraw/zinc/66/70/97/554667097.db2.gz ZHOHUBOBSUQXHY-FSSWDIPSSA-N 0 0 542.317 4.556 40 5 KJBBRN COc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000101188234 554669842 /nfs/dbraw/zinc/66/98/42/554669842.db2.gz HXEWDDRSXPSICH-FKBYEOEOSA-N 0 0 514.321 4.961 40 5 KJBBRN COc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(Cl)cc2Cl)C1=O ZINC000101188238 554669830 /nfs/dbraw/zinc/66/98/30/554669830.db2.gz HXEWDDRSXPSICH-VSKRKVRLSA-N 0 0 514.321 4.961 40 5 KJBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br ZINC000101200146 554672544 /nfs/dbraw/zinc/67/25/44/554672544.db2.gz PQOCXMGKHRLBJX-FSSWDIPSSA-N 0 0 542.317 4.556 40 5 KJBBRN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000101215775 554682022 /nfs/dbraw/zinc/68/20/22/554682022.db2.gz HTCKUKOGUPVAMA-UHFFFAOYSA-N 0 0 534.576 4.967 40 5 KJBBRN COc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000101216450 554683716 /nfs/dbraw/zinc/68/37/16/554683716.db2.gz VNMKJTSDFNUBTP-UHFFFAOYSA-N 0 0 534.576 4.967 40 5 KJBBRN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000101216617 554684207 /nfs/dbraw/zinc/68/42/07/554684207.db2.gz IOOIEYDRUNZCIK-UHFFFAOYSA-N 0 0 534.576 4.967 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000101466490 554780824 /nfs/dbraw/zinc/78/08/24/554780824.db2.gz WFVIEGWPYBXRJF-NGXZDTIWSA-N 0 0 512.518 4.708 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)c(O)c(OCC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c1 ZINC000101538819 554795733 /nfs/dbraw/zinc/79/57/33/554795733.db2.gz HOOJZYRVUJCISB-CUYJMHBOSA-N 0 0 598.406 4.911 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3cc(Br)c(O)c(OCC)c3)C2=O)c1 ZINC000101538829 554795718 /nfs/dbraw/zinc/79/57/18/554795718.db2.gz HOOJZYRVUJCISB-OYRHQHFDSA-N 0 0 598.406 4.911 40 5 KJBBRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672085 554825558 /nfs/dbraw/zinc/82/55/58/554825558.db2.gz DIGVXCALHFPCKR-GIWBLDEGSA-N 0 0 572.343 4.652 40 5 KJBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672094 554825600 /nfs/dbraw/zinc/82/56/00/554825600.db2.gz DIGVXCALHFPCKR-FUDKSRODSA-N 0 0 572.343 4.652 40 5 KJBBRN CCOc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672377 554826042 /nfs/dbraw/zinc/82/60/42/554826042.db2.gz YTGUMACEWQRQPH-GPXNEJASSA-N 0 0 568.380 4.508 40 5 KJBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672384 554826004 /nfs/dbraw/zinc/82/60/04/554826004.db2.gz YTGUMACEWQRQPH-FIXSFTCYSA-N 0 0 568.380 4.508 40 5 KJBBRN CCc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101672424 554826020 /nfs/dbraw/zinc/82/60/20/554826020.db2.gz KMSZUBVANVMKLU-FIXSFTCYSA-N 0 0 568.380 4.685 40 5 KJBBRN CCc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3cc(Br)c(O)c(OC)c3)C2=O)cc1 ZINC000101672427 554825999 /nfs/dbraw/zinc/82/59/99/554825999.db2.gz KMSZUBVANVMKLU-AKFKNWHVSA-N 0 0 568.380 4.685 40 5 KJBBRN CCc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101672431 554826024 /nfs/dbraw/zinc/82/60/24/554826024.db2.gz KMSZUBVANVMKLU-ZDXQCDESSA-N 0 0 568.380 4.685 40 5 KJBBRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672771 554826328 /nfs/dbraw/zinc/82/63/28/554826328.db2.gz LEZXTALPEUKNBI-GIWBLDEGSA-N 0 0 572.343 4.652 40 5 KJBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000101672778 554826320 /nfs/dbraw/zinc/82/63/20/554826320.db2.gz LEZXTALPEUKNBI-FUDKSRODSA-N 0 0 572.343 4.652 40 5 KJBBRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101672783 554826277 /nfs/dbraw/zinc/82/62/77/554826277.db2.gz TXOPZUAEOPGLDM-QQNWGBJXSA-N 0 0 555.543 4.825 40 5 KJBBRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000101672790 554826354 /nfs/dbraw/zinc/82/63/54/554826354.db2.gz TXOPZUAEOPGLDM-VBOOUTDYSA-N 0 0 555.543 4.825 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)c(O)c(OC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c1 ZINC000101672908 554826514 /nfs/dbraw/zinc/82/65/14/554826514.db2.gz AUDIYBOVBGUIKF-GPXNEJASSA-N 0 0 584.379 4.521 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)c1 ZINC000101672911 554826504 /nfs/dbraw/zinc/82/65/04/554826504.db2.gz AUDIYBOVBGUIKF-FIXSFTCYSA-N 0 0 584.379 4.521 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3cc(Br)c(O)c(OC)c3)C2=O)c1 ZINC000101672914 554826506 /nfs/dbraw/zinc/82/65/06/554826506.db2.gz AUDIYBOVBGUIKF-AKFKNWHVSA-N 0 0 584.379 4.521 40 5 KJBBRN CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)c1 ZINC000101672917 554826492 /nfs/dbraw/zinc/82/64/92/554826492.db2.gz AUDIYBOVBGUIKF-ZDXQCDESSA-N 0 0 584.379 4.521 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)c(O)c(OCC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000101673008 554826586 /nfs/dbraw/zinc/82/65/86/554826586.db2.gz GTUXVSNIMFGURM-CUYJMHBOSA-N 0 0 598.406 4.911 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000101673012 554826638 /nfs/dbraw/zinc/82/66/38/554826638.db2.gz GTUXVSNIMFGURM-LSQMVHIFSA-N 0 0 598.406 4.911 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000101673018 554826577 /nfs/dbraw/zinc/82/65/77/554826577.db2.gz GTUXVSNIMFGURM-ARNLJNQMSA-N 0 0 598.406 4.911 40 5 KJBBRN O=c1/c(=C\c2ccc(Br)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000101858475 554844042 /nfs/dbraw/zinc/84/40/42/554844042.db2.gz UWGCZQPQQIXJHY-PGGUJSHWSA-N 0 0 534.391 4.582 40 5 KJBBRN O=c1/c(=C\c2ccc(Br)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000101858483 554844048 /nfs/dbraw/zinc/84/40/48/554844048.db2.gz UWGCZQPQQIXJHY-CEMPLAKHSA-N 0 0 534.391 4.582 40 5 KJBBRN CC(C)C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000102020221 554867145 /nfs/dbraw/zinc/86/71/45/554867145.db2.gz IJGGTWQIFAZJRY-BSPICSQLSA-N 0 0 552.583 4.628 40 5 KJBBRN Cc1cc2ccccc2c(=O)n1Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nn2c(C)cc3ccccc3c2=O)n1 ZINC000102212368 554897128 /nfs/dbraw/zinc/89/71/28/554897128.db2.gz DIFXGEHIMOFJPT-UHFFFAOYSA-N 0 0 561.562 4.520 40 5 KJBBRN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1CCNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(Cl)c1 ZINC000102407067 554921329 /nfs/dbraw/zinc/92/13/29/554921329.db2.gz QJIJSZHOPLOGFB-FQEVSTJZSA-N 0 0 559.435 4.740 40 5 KJBBRN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CCNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(Cl)c1 ZINC000102407069 554921368 /nfs/dbraw/zinc/92/13/68/554921368.db2.gz QJIJSZHOPLOGFB-HXUWFJFHSA-N 0 0 559.435 4.740 40 5 KJBBRN CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21 ZINC000102415307 1067212508 /nfs/dbraw/zinc/21/25/08/1067212508.db2.gz ARONJZIMXHJYGR-UHFFFAOYSA-N 0 0 562.669 4.588 40 5 KJBBRN O=c1oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 ZINC000102415360 1067212389 /nfs/dbraw/zinc/21/23/89/1067212389.db2.gz UENGMMCRFZQUTB-UHFFFAOYSA-N 0 0 542.541 4.826 40 5 KJBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000102511290 554946235 /nfs/dbraw/zinc/94/62/35/554946235.db2.gz LCLWFEZQNCZOPC-ZCFUWVSLSA-N 0 0 524.529 4.564 40 5 KJBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000102511296 554946239 /nfs/dbraw/zinc/94/62/39/554946239.db2.gz LCLWFEZQNCZOPC-RWBPATOOSA-N 0 0 524.529 4.564 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000102511312 554946320 /nfs/dbraw/zinc/94/63/20/554946320.db2.gz PGORHJJBYYEFID-ZCFUWVSLSA-N 0 0 524.529 4.564 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000102511317 554946160 /nfs/dbraw/zinc/94/61/60/554946160.db2.gz PGORHJJBYYEFID-RWBPATOOSA-N 0 0 524.529 4.564 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)/C=C\c1ccc(Cl)cc1 ZINC000102547016 554959673 /nfs/dbraw/zinc/95/96/73/554959673.db2.gz PZRACNGXRWLJOR-AYWVUOQJSA-N 0 0 563.054 4.744 40 5 KJBBRN Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)N(c3cccc([N+](=O)[O-])c3)O[C@@H]2C1=O ZINC000102548055 554960242 /nfs/dbraw/zinc/96/02/42/554960242.db2.gz CSMNRWJAVWAZLV-PKTNWEFCSA-N 0 0 585.594 4.722 40 5 KJBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000102548058 554960301 /nfs/dbraw/zinc/96/03/01/554960301.db2.gz CSMNRWJAVWAZLV-KCHLEUMXSA-N 0 0 585.594 4.722 40 5 KJBBRN Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000102548063 554960172 /nfs/dbraw/zinc/96/01/72/554960172.db2.gz CSMNRWJAVWAZLV-IARZGTGTSA-N 0 0 585.594 4.722 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000102551412 554961960 /nfs/dbraw/zinc/96/19/60/554961960.db2.gz VGVMGOXJWKRGHB-XKMRCYARSA-N 0 0 634.730 4.887 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000102559357 554966851 /nfs/dbraw/zinc/96/68/51/554966851.db2.gz FSMWTYOJLDHFBL-WUZYOQQESA-N 0 0 620.703 4.578 40 5 KJBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102581328 554972572 /nfs/dbraw/zinc/97/25/72/554972572.db2.gz NDWVHWVNWDCTAU-UHFFFAOYSA-N 0 0 534.322 4.898 40 5 KJBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000102581335 554972587 /nfs/dbraw/zinc/97/25/87/554972587.db2.gz UXRROVXJOZVGBV-UHFFFAOYSA-N 0 0 534.322 4.898 40 5 KJBBRN COc1ccc(Cn2c(=O)c3c(=O)c4cc(Br)ccc4oc3nc2-c2ccc(OC)cc2)cc1 ZINC000102581346 554972559 /nfs/dbraw/zinc/97/25/59/554972559.db2.gz QOKVGDYFYUTSTF-UHFFFAOYSA-N 0 0 519.351 4.998 40 5 KJBBRN COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc2c1nc1ccc(C)cn1c2=O ZINC000102621521 554987039 /nfs/dbraw/zinc/98/70/39/554987039.db2.gz VRUGANWEVREWTE-UHFFFAOYSA-N 0 0 558.645 4.781 40 5 KJBBRN O=C(Oc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000102628702 554988470 /nfs/dbraw/zinc/98/84/70/554988470.db2.gz CYGXBUGEBOGHKA-UHFFFAOYSA-N 0 0 565.491 4.897 40 5 KJBBRN O=C(Oc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102628713 554988555 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555117573 /nfs/dbraw/zinc/11/75/73/555117573.db2.gz DVCZDRCEAYRFBE-IARZGTGTSA-N 0 0 585.594 4.722 40 5 KJBBRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000102887147 555118125 /nfs/dbraw/zinc/11/81/25/555118125.db2.gz COHIBGBERYDFRK-PKTNWEFCSA-N 0 0 565.538 4.874 40 5 KJBBRN COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102887148 555118258 /nfs/dbraw/zinc/11/82/58/555118258.db2.gz COHIBGBERYDFRK-KCHLEUMXSA-N 0 0 565.538 4.874 40 5 KJBBRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000102887151 555118275 /nfs/dbraw/zinc/11/82/75/555118275.db2.gz COHIBGBERYDFRK-FCEKVYKBSA-N 0 0 565.538 4.874 40 5 KJBBRN COc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102887154 555118269 /nfs/dbraw/zinc/11/82/69/555118269.db2.gz COHIBGBERYDFRK-IARZGTGTSA-N 0 0 565.538 4.874 40 5 KJBBRN O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889685 555124246 /nfs/dbraw/zinc/12/42/46/555124246.db2.gz HUFMLFFVGLRPHU-PVHODMMVSA-N 0 0 580.509 4.773 40 5 KJBBRN O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000102889690 555124152 /nfs/dbraw/zinc/12/41/52/555124152.db2.gz HUFMLFFVGLRPHU-QKDODKLFSA-N 0 0 580.509 4.773 40 5 KJBBRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000102892746 555129360 /nfs/dbraw/zinc/12/93/60/555129360.db2.gz BCBUTPALVKTCJX-GIWBLDEGSA-N 0 0 554.353 4.513 40 5 KJBBRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000102892749 555129296 /nfs/dbraw/zinc/12/92/96/555129296.db2.gz BCBUTPALVKTCJX-FUDKSRODSA-N 0 0 554.353 4.513 40 5 KJBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893273 555130537 /nfs/dbraw/zinc/13/05/37/555130537.db2.gz NACQJOHCJVBLGN-PKTNWEFCSA-N 0 0 565.538 4.874 40 5 KJBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102893278 555130621 /nfs/dbraw/zinc/13/06/21/555130621.db2.gz NACQJOHCJVBLGN-KCHLEUMXSA-N 0 0 565.538 4.874 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)c(OC)c4OC)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000102893309 555130546 /nfs/dbraw/zinc/13/05/46/555130546.db2.gz XEPTUFMXUZSMFQ-QQNWGBJXSA-N 0 0 577.590 4.851 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000102893310 555130571 /nfs/dbraw/zinc/13/05/71/555130571.db2.gz XEPTUFMXUZSMFQ-VBOOUTDYSA-N 0 0 577.590 4.851 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC)c(OC)c3OC)C2=O)cc1 ZINC000102893312 555130618 /nfs/dbraw/zinc/13/06/18/555130618.db2.gz XEPTUFMXUZSMFQ-SKVJQKLOSA-N 0 0 577.590 4.851 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000102893315 555130520 /nfs/dbraw/zinc/13/05/20/555130520.db2.gz XEPTUFMXUZSMFQ-OARDWFSCSA-N 0 0 577.590 4.851 40 5 KJBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000102893662 555131339 /nfs/dbraw/zinc/13/13/39/555131339.db2.gz YKMBVPJNCUGXTC-URVUXULASA-N 0 0 574.771 4.776 40 5 KJBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O ZINC000102893666 555131337 /nfs/dbraw/zinc/13/13/37/555131337.db2.gz YKMBVPJNCUGXTC-ONTIZHBOSA-N 0 0 574.771 4.776 40 5 KJBBRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895219 555133762 /nfs/dbraw/zinc/13/37/62/555133762.db2.gz JJWRMUDJDIYGKZ-PKTNWEFCSA-N 0 0 565.538 4.874 40 5 KJBBRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102895222 555133705 /nfs/dbraw/zinc/13/37/05/555133705.db2.gz JJWRMUDJDIYGKZ-KCHLEUMXSA-N 0 0 565.538 4.874 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)c(Br)c4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)cc1 ZINC000102895630 555134906 /nfs/dbraw/zinc/13/49/06/555134906.db2.gz ZVDLMIMHKPDZTD-SGNDLWITSA-N 0 0 568.380 4.816 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000102895633 555134869 /nfs/dbraw/zinc/13/48/69/555134869.db2.gz ZVDLMIMHKPDZTD-HJOGWXRNSA-N 0 0 568.380 4.816 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000102895636 555134979 /nfs/dbraw/zinc/13/49/79/555134979.db2.gz ZVDLMIMHKPDZTD-SMIHKQSGSA-N 0 0 568.380 4.816 40 5 KJBBRN CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000102895637 555134964 /nfs/dbraw/zinc/13/49/64/555134964.db2.gz ZVDLMIMHKPDZTD-VXNXHJTFSA-N 0 0 568.380 4.816 40 5 KJBBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c1 ZINC000102899258 555138742 /nfs/dbraw/zinc/13/87/42/555138742.db2.gz FIXGWXNWRWCBJM-PKTNWEFCSA-N 0 0 585.594 4.722 40 5 KJBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000102899259 555138735 /nfs/dbraw/zinc/13/87/35/555138735.db2.gz FIXGWXNWRWCBJM-KCHLEUMXSA-N 0 0 585.594 4.722 40 5 KJBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000102899261 555138873 /nfs/dbraw/zinc/13/88/73/555138873.db2.gz FIXGWXNWRWCBJM-IARZGTGTSA-N 0 0 585.594 4.722 40 5 KJBBRN COc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102899457 555139136 /nfs/dbraw/zinc/13/91/36/555139136.db2.gz NFRUHNDXORRJRJ-ULNSLHSMSA-N 0 0 579.565 4.869 40 5 KJBBRN COc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000102899463 555139089 /nfs/dbraw/zinc/13/90/89/555139089.db2.gz NFRUHNDXORRJRJ-AWCRTANDSA-N 0 0 579.565 4.869 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)/C=C\c1ccc(Cl)cc1 ZINC000102913376 555143266 /nfs/dbraw/zinc/14/32/66/555143266.db2.gz JKFPSTBFPZQOHN-OQPHZVIZSA-N 0 0 504.974 4.509 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102919149 555144897 /nfs/dbraw/zinc/14/48/97/555144897.db2.gz COFDEYOJCFHBDL-CDSHQWRTSA-N 0 0 558.679 4.988 40 5 KJBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102919155 555144847 /nfs/dbraw/zinc/14/48/47/555144847.db2.gz KSGDXOISXHKPMF-MUGXBBEHSA-N 0 0 544.652 4.600 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(Cl)cc1Cl ZINC000102919370 555144965 /nfs/dbraw/zinc/14/49/65/555144965.db2.gz WDWNGBHGLQGOGK-QUPMIFSKSA-N 0 0 513.381 4.763 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(Cl)cc1Cl ZINC000102919396 555145052 /nfs/dbraw/zinc/14/50/52/555145052.db2.gz FHSLDUBBTKNLFS-WGPBWIAQSA-N 0 0 571.461 4.997 40 5 KJBBRN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000102919400 555145026 /nfs/dbraw/zinc/14/50/26/555145026.db2.gz XEGLKYQKOOUJOT-QFMPWRQOSA-N 0 0 557.434 4.609 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102920535 555145697 /nfs/dbraw/zinc/14/56/97/555145697.db2.gz CFHLXTKZVFOXBB-MUGXBBEHSA-N 0 0 544.652 4.680 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(Cl)cc1Cl ZINC000102920594 555145806 /nfs/dbraw/zinc/14/58/06/555145806.db2.gz VESKALUJWDWYEM-QFMPWRQOSA-N 0 0 557.434 4.689 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(Cl)cc1 ZINC000102921448 555146728 /nfs/dbraw/zinc/14/67/28/555146728.db2.gz UPTLREFLUAMIDJ-BGABXYSRSA-N 0 0 504.974 4.726 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1c(F)cccc1Cl ZINC000102921456 555146924 /nfs/dbraw/zinc/14/69/24/555146924.db2.gz BENFPEFFABWSBB-QFMPWRQOSA-N 0 0 522.964 4.865 40 5 KJBBRN Cc1ccc(Sc2ccc(/C=c3\s/c(=C\C(=O)c4ccc(Cl)cc4)[nH]c3=O)cc2[N+](=O)[O-])cc1 ZINC000102971081 555181767 /nfs/dbraw/zinc/18/17/67/555181767.db2.gz SFQXCWGZOWJIGU-GACBQCINSA-N 0 0 509.008 4.950 40 5 KJBBRN Cc1ccc(Sc2ccc(/C=c3/s/c(=C\C(=O)c4ccc(Cl)cc4)[nH]c3=O)cc2[N+](=O)[O-])cc1 ZINC000102971083 555181653 /nfs/dbraw/zinc/18/16/53/555181653.db2.gz SFQXCWGZOWJIGU-IKNRUWCWSA-N 0 0 509.008 4.950 40 5 KJBBRN O=c1c2cccc3cccc(c23)/c1=N\Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000102983124 555188945 /nfs/dbraw/zinc/18/89/45/555188945.db2.gz ZLONAUKYVBIVMO-SLEBQGDGSA-N 0 0 506.927 4.519 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cc(Br)ccc1Cl ZINC000103001108 555200981 /nfs/dbraw/zinc/20/09/81/555200981.db2.gz FMIOBNMMCHOADW-SGWCAAJKSA-N 0 0 543.805 4.564 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccccc1Br ZINC000103001322 555201298 /nfs/dbraw/zinc/20/12/98/555201298.db2.gz HOPCCGHPMKNYLE-BGABXYSRSA-N 0 0 549.425 4.835 40 5 KJBBRN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1c(OCC)ccc2ccccc21 ZINC000103001484 555201418 /nfs/dbraw/zinc/20/14/18/555201418.db2.gz YMKCTURLWJOKGJ-MDVFONAFSA-N 0 0 538.604 4.775 40 5 KJBBRN COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000103093708 1067213004 /nfs/dbraw/zinc/21/30/04/1067213004.db2.gz ZIMJWYDDHDPVFS-UHFFFAOYSA-N 0 0 562.004 4.538 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@H]4[C@H]3C2=O)cc1 ZINC000103122631 555291171 /nfs/dbraw/zinc/29/11/71/555291171.db2.gz JGOGKBRAAGBWCH-HFLBTKGNSA-N 0 0 580.597 4.580 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@@H]32)cc1 ZINC000103122635 555291181 /nfs/dbraw/zinc/29/11/81/555291181.db2.gz JGOGKBRAAGBWCH-BPXGVECKSA-N 0 0 580.597 4.580 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000103122637 555291055 /nfs/dbraw/zinc/29/10/55/555291055.db2.gz JGOGKBRAAGBWCH-GCFVYEKYSA-N 0 0 580.597 4.580 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000103122639 555291403 /nfs/dbraw/zinc/29/14/03/555291403.db2.gz APSRNAYXLDSNQB-HFLBTKGNSA-N 0 0 565.582 4.824 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000103122642 555291378 /nfs/dbraw/zinc/29/13/78/555291378.db2.gz APSRNAYXLDSNQB-BPXGVECKSA-N 0 0 565.582 4.824 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000103122645 555291372 /nfs/dbraw/zinc/29/13/72/555291372.db2.gz APSRNAYXLDSNQB-HPQIJTKRSA-N 0 0 565.582 4.824 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000103122648 555291381 /nfs/dbraw/zinc/29/13/81/555291381.db2.gz APSRNAYXLDSNQB-GCFVYEKYSA-N 0 0 565.582 4.824 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@H]4[C@H]3C2=O)cc1 ZINC000103140140 555309787 /nfs/dbraw/zinc/30/97/87/555309787.db2.gz UYRBCFZFYGQGLG-HFLBTKGNSA-N 0 0 552.587 4.802 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@@H]32)cc1 ZINC000103140144 555309765 /nfs/dbraw/zinc/30/97/65/555309765.db2.gz UYRBCFZFYGQGLG-BPXGVECKSA-N 0 0 552.587 4.802 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000103140147 555309747 /nfs/dbraw/zinc/30/97/47/555309747.db2.gz UYRBCFZFYGQGLG-HPQIJTKRSA-N 0 0 552.587 4.802 40 5 KJBBRN CCCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000103140150 555309773 /nfs/dbraw/zinc/30/97/73/555309773.db2.gz UYRBCFZFYGQGLG-GCFVYEKYSA-N 0 0 552.587 4.802 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000103253434 1067213523 /nfs/dbraw/zinc/21/35/23/1067213523.db2.gz JDDOVRRLPJMCPB-AQIZGWBQSA-N 0 0 580.018 4.532 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000103253438 1067213599 /nfs/dbraw/zinc/21/35/99/1067213599.db2.gz JDDOVRRLPJMCPB-ZDGAQAAHSA-N 0 0 580.018 4.532 40 5 KJBBRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518762 555424315 /nfs/dbraw/zinc/42/43/15/555424315.db2.gz HDQFFEWVVXIMCS-WVVZPGRZSA-N 0 0 542.979 4.571 40 5 KJBBRN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518765 555424281 /nfs/dbraw/zinc/42/42/81/555424281.db2.gz HDQFFEWVVXIMCS-AWTHXPCVSA-N 0 0 542.979 4.571 40 5 KJBBRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000103518767 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KJBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306434 571394118 /nfs/dbraw/zinc/39/41/18/571394118.db2.gz BPACQHPZASCPAQ-UHFFFAOYSA-N 0 0 535.607 4.541 40 5 KJBBRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000105306486 571394079 /nfs/dbraw/zinc/39/40/79/571394079.db2.gz MHIYPRXLMIGNLD-UHFFFAOYSA-N 0 0 559.652 4.635 40 5 KJBBRN COc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000105306532 571394122 /nfs/dbraw/zinc/39/41/22/571394122.db2.gz NMRBMTCGLDYXOD-UHFFFAOYSA-N 0 0 575.603 4.565 40 5 KJBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306568 571394131 /nfs/dbraw/zinc/39/41/31/571394131.db2.gz WCRHDBYPXABZRM-UHFFFAOYSA-N 0 0 522.427 4.596 40 5 KJBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000105306595 571394177 /nfs/dbraw/zinc/39/41/77/571394177.db2.gz KTJCTARMJUVAOT-UHFFFAOYSA-N 0 0 521.530 4.506 40 5 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ZINC000112240715 571435149 /nfs/dbraw/zinc/43/51/49/571435149.db2.gz OVZDFWNMNWMDNQ-UHFFFAOYSA-N 0 0 549.487 4.619 40 5 KJBBRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000112241321 571435174 /nfs/dbraw/zinc/43/51/74/571435174.db2.gz IAAGVPOCIDOEMB-UHFFFAOYSA-N 0 0 595.125 4.534 40 5 KJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)c(C)c1 ZINC000112241618 571435187 /nfs/dbraw/zinc/43/51/87/571435187.db2.gz MZKGIVKCCYOUHZ-UHFFFAOYSA-N 0 0 602.721 4.755 40 5 KJBBRN Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000112242956 571435397 /nfs/dbraw/zinc/43/53/97/571435397.db2.gz QRGLZNGJVFZGNN-UHFFFAOYSA-N 0 0 559.604 4.865 40 5 KJBBRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 ZINC000112243162 571435391 /nfs/dbraw/zinc/43/53/91/571435391.db2.gz NHLPYAVKNXDOFV-UHFFFAOYSA-N 0 0 559.652 4.635 40 5 KJBBRN 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KJBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113832683 571442569 /nfs/dbraw/zinc/44/25/69/571442569.db2.gz MHAUHFVMWRURKV-XSFVSMFZSA-N 0 0 512.521 4.612 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000137661703 571450508 /nfs/dbraw/zinc/45/05/08/571450508.db2.gz WFVIEGWPYBXRJF-LQGLAIQGSA-N 0 0 512.518 4.708 40 5 KJBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000138171029 571451092 /nfs/dbraw/zinc/45/10/92/571451092.db2.gz VVOIOPZICZGTNH-JJFYIABZSA-N 0 0 538.379 4.715 40 5 KJBBRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000138539539 571451344 /nfs/dbraw/zinc/45/13/44/571451344.db2.gz ZPXYQBNTDZJPJI-LJQANCHMSA-N 0 0 503.511 4.539 40 5 KJBBRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)cc1 ZINC000138539657 571451328 /nfs/dbraw/zinc/45/13/28/571451328.db2.gz ZPXYQBNTDZJPJI-IBGZPJMESA-N 0 0 503.511 4.539 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000138557120 571451423 /nfs/dbraw/zinc/45/14/23/571451423.db2.gz OFUCFBJGQUIIDK-RAWLKHAVSA-N 0 0 575.552 4.866 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000138557251 571451434 /nfs/dbraw/zinc/45/14/34/571451434.db2.gz OFUCFBJGQUIIDK-QYVRTBTHSA-N 0 0 575.552 4.866 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000138557378 571451433 /nfs/dbraw/zinc/45/14/33/571451433.db2.gz OFUCFBJGQUIIDK-AGTZKDDFSA-N 0 0 575.552 4.866 40 5 KJBBRN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000138592537 571451554 /nfs/dbraw/zinc/45/15/54/571451554.db2.gz SQJLRENKICPCHQ-UHFFFAOYSA-N 0 0 551.654 4.607 40 5 KJBBRN COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000138640643 571451620 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Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1C ZINC000138954757 571452525 /nfs/dbraw/zinc/45/25/25/571452525.db2.gz JMMISVFTWYPFCE-LJQANCHMSA-N 0 0 503.511 4.539 40 5 KJBBRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1C ZINC000138954868 571452522 /nfs/dbraw/zinc/45/25/22/571452522.db2.gz JMMISVFTWYPFCE-IBGZPJMESA-N 0 0 503.511 4.539 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)c1 ZINC000138961821 571452652 /nfs/dbraw/zinc/45/26/52/571452652.db2.gz UZUYTFGMHZHDQH-LJQANCHMSA-N 0 0 533.537 4.547 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C)c(C)c4)cc3)C2)c1 ZINC000138961940 571452610 /nfs/dbraw/zinc/45/26/10/571452610.db2.gz UZUYTFGMHZHDQH-IBGZPJMESA-N 0 0 533.537 4.547 40 5 KJBBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000139016153 571452716 /nfs/dbraw/zinc/45/27/16/571452716.db2.gz UCJAQCYWZFONRM-UHFFFAOYSA-N 0 0 512.744 4.610 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000139021861 571452760 /nfs/dbraw/zinc/45/27/60/571452760.db2.gz RVQVMJDJIOHHDQ-OMWUSAIZSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000139022048 571452751 /nfs/dbraw/zinc/45/27/51/571452751.db2.gz RVQVMJDJIOHHDQ-XVGQJIODSA-N 0 0 518.353 4.563 40 5 KJBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000139027342 571452764 /nfs/dbraw/zinc/45/27/64/571452764.db2.gz QTIZPLNQFBBLKR-UHFFFAOYSA-N 0 0 514.719 4.864 40 5 KJBBRN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)cc1[N+](=O)[O-] ZINC000139090802 571452952 /nfs/dbraw/zinc/45/29/52/571452952.db2.gz ARZXJXDDLPKVKI-UHFFFAOYSA-N 0 0 529.288 4.751 40 5 KJBBRN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000139146331 571453116 /nfs/dbraw/zinc/45/31/16/571453116.db2.gz KEEPPENSEHSUFB-RISWYLRJSA-N 0 0 574.456 4.998 40 5 KJBBRN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000139146452 571453108 /nfs/dbraw/zinc/45/31/08/571453108.db2.gz KEEPPENSEHSUFB-LMSRTUJASA-N 0 0 574.456 4.998 40 5 KJBBRN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 ZINC000139306458 571453042 /nfs/dbraw/zinc/45/30/42/571453042.db2.gz MLRIJGKMHHGBBU-INIZCTEOSA-N 0 0 551.654 4.685 40 5 KJBBRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 ZINC000139306566 571453081 /nfs/dbraw/zinc/45/30/81/571453081.db2.gz MLRIJGKMHHGBBU-MRXNPFEDSA-N 0 0 551.654 4.685 40 5 KJBBRN O=c1/c(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12 ZINC000139366567 571453206 /nfs/dbraw/zinc/45/32/06/571453206.db2.gz JCMROWHMJDZFBH-MTJSOVHGSA-N 0 0 508.353 4.707 40 5 KJBBRN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000139625722 571453200 /nfs/dbraw/zinc/45/32/00/571453200.db2.gz LIEPHOZJWKQIHC-LWUPDDLQSA-N 0 0 544.430 4.989 40 5 KJBBRN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000139625851 571453175 /nfs/dbraw/zinc/45/31/75/571453175.db2.gz LIEPHOZJWKQIHC-GJFKPFFXSA-N 0 0 544.430 4.989 40 5 KJBBRN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000139636038 571453196 /nfs/dbraw/zinc/45/31/96/571453196.db2.gz ZNKOXIMRCOWOBQ-GVMLUORFSA-N 0 0 530.005 4.889 40 5 KJBBRN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] ZINC000139636318 571453220 /nfs/dbraw/zinc/45/32/20/571453220.db2.gz ZNKOXIMRCOWOBQ-KMBIYUNPSA-N 0 0 530.005 4.889 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O ZINC000139730575 571453831 /nfs/dbraw/zinc/45/38/31/571453831.db2.gz CZPPIAJYPHYFRC-UHFFFAOYSA-N 0 0 539.610 4.537 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000139985423 571454420 /nfs/dbraw/zinc/45/44/20/571454420.db2.gz BYVGUXRFNNMFBC-UHFFFAOYSA-N 0 0 562.044 4.864 40 5 KJBBRN COc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000139986018 571454415 /nfs/dbraw/zinc/45/44/15/571454415.db2.gz JXHHHBUBGIUDBI-KRWDZBQOSA-N 0 0 548.017 4.647 40 5 KJBBRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000139986161 571454465 /nfs/dbraw/zinc/45/44/65/571454465.db2.gz JXHHHBUBGIUDBI-QGZVFWFLSA-N 0 0 548.017 4.647 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000140032642 571454549 /nfs/dbraw/zinc/45/45/49/571454549.db2.gz RKQNUTNRMMPFTM-UHFFFAOYSA-N 0 0 532.018 4.728 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000140065060 571454672 /nfs/dbraw/zinc/45/46/72/571454672.db2.gz VVLCTGIQGNGRCJ-UHFFFAOYSA-N 0 0 584.054 4.571 40 5 KJBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1 ZINC000140086683 571455009 /nfs/dbraw/zinc/45/50/09/571455009.db2.gz AYAIOXYGBSQMLZ-UHFFFAOYSA-N 0 0 516.384 4.644 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000140129404 571455354 /nfs/dbraw/zinc/45/53/54/571455354.db2.gz QQGNEOFZHIRFIZ-INIZCTEOSA-N 0 0 535.981 4.777 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000140129580 571455353 /nfs/dbraw/zinc/45/53/53/571455353.db2.gz QQGNEOFZHIRFIZ-MRXNPFEDSA-N 0 0 535.981 4.777 40 5 KJBBRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)c1 ZINC000143117053 571456167 /nfs/dbraw/zinc/45/61/67/571456167.db2.gz XJPOHWKIILSFCT-INIZCTEOSA-N 0 0 551.654 4.685 40 5 KJBBRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)c1 ZINC000143117255 571456200 /nfs/dbraw/zinc/45/62/00/571456200.db2.gz XJPOHWKIILSFCT-MRXNPFEDSA-N 0 0 551.654 4.685 40 5 KJBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000143118298 571456237 /nfs/dbraw/zinc/45/62/37/571456237.db2.gz NFHGPUDGJYOHON-OAHLLOKOSA-N 0 0 537.627 4.552 40 5 KJBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000143118505 571456158 /nfs/dbraw/zinc/45/61/58/571456158.db2.gz NFHGPUDGJYOHON-HNNXBMFYSA-N 0 0 537.627 4.552 40 5 KJBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000143126936 571456147 /nfs/dbraw/zinc/45/61/47/571456147.db2.gz JOHUFZBUTPPEAK-MRXNPFEDSA-N 0 0 551.654 4.860 40 5 KJBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000143127126 571456196 /nfs/dbraw/zinc/45/61/96/571456196.db2.gz JOHUFZBUTPPEAK-INIZCTEOSA-N 0 0 551.654 4.860 40 5 KJBBRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 ZINC000145773847 571456637 /nfs/dbraw/zinc/45/66/37/571456637.db2.gz ZHFRNWVFBMVILJ-KRWDZBQOSA-N 0 0 595.707 4.532 40 5 KJBBRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 ZINC000145774046 571456656 /nfs/dbraw/zinc/45/66/56/571456656.db2.gz ZHFRNWVFBMVILJ-QGZVFWFLSA-N 0 0 595.707 4.532 40 5 KJBBRN O=c1/c(=C\c2ccc(I)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000147678841 571456823 /nfs/dbraw/zinc/45/68/23/571456823.db2.gz MXBJJYRQUKACDM-AQIZGWBQSA-N 0 0 591.430 4.832 40 5 KJBBRN O=c1/c(=C\c2ccc(I)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000147679282 571456908 /nfs/dbraw/zinc/45/69/08/571456908.db2.gz MXBJJYRQUKACDM-ZDGAQAAHSA-N 0 0 591.430 4.832 40 5 KJBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000148891418 571457015 /nfs/dbraw/zinc/45/70/15/571457015.db2.gz PJGCDKSFXXUUBR-JJFYIABZSA-N 0 0 538.379 4.715 40 5 KJBBRN O=C1C(=Cc2ccc(O)cc2)N=C(c2ccccc2)N1N=c1nc(Nc2ccc([N+](=O)[O-])cc2O)nc(Nc2ccc([N+](=O)[O-])cc2O)[nH]1 ZINC000150342360 291881288 /nfs/dbraw/zinc/88/12/88/291881288.db2.gz FLFQLLSTPOTNOO-ZVHZXABRSA-N 0 0 662.579 4.949 40 5 biogenic,in-vitro KJBBRN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)n1 ZINC000150350796 571462064 /nfs/dbraw/zinc/46/20/64/571462064.db2.gz HFUSSXDQLBHXLJ-UHFFFAOYSA-N 0 0 649.444 4.622 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@H](c3ccccc3Cl)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000150352069 571462379 /nfs/dbraw/zinc/46/23/79/571462379.db2.gz FONOFPPMMCHDKW-IOMRGGENSA-N 0 0 650.069 4.953 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@H](c3ccccc3Cl)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000150352071 571462375 /nfs/dbraw/zinc/46/23/75/571462375.db2.gz FONOFPPMMCHDKW-ULCQYYMNSA-N 0 0 650.069 4.953 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccccc3Cl)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000150352072 571462322 /nfs/dbraw/zinc/46/23/22/571462322.db2.gz FONOFPPMMCHDKW-OGOGVGGASA-N 0 0 650.069 4.953 40 5 KJBBRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccccc3Cl)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000150352075 571462313 /nfs/dbraw/zinc/46/23/13/571462313.db2.gz FONOFPPMMCHDKW-IQMCKEBOSA-N 0 0 650.069 4.953 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150360528 571463749 /nfs/dbraw/zinc/46/37/49/571463749.db2.gz SSPMQENRMRGTFV-JAYSWQADSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150360530 571463741 /nfs/dbraw/zinc/46/37/41/571463741.db2.gz SSPMQENRMRGTFV-KEQCBNTKSA-N 0 0 654.495 4.746 40 5 KJBBRN O=C(O[C@@H]1CO[C@H](n2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369771 571465632 /nfs/dbraw/zinc/46/56/32/571465632.db2.gz XGXWCISBJRGTOH-OLQMUTRHSA-N 0 0 624.558 4.708 40 5 KJBBRN O=C(O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](n2c(=O)oc3cc([N+](=O)[O-])ccc32)OC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369774 571465628 /nfs/dbraw/zinc/46/56/28/571465628.db2.gz XGXWCISBJRGTOH-AUAHOFGGSA-N 0 0 624.558 4.708 40 5 KJBBRN O=C(O[C@@H]1CO[C@@H](n2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369775 571465568 /nfs/dbraw/zinc/46/55/68/571465568.db2.gz XGXWCISBJRGTOH-CXDXLJMYSA-N 0 0 624.558 4.708 40 5 KJBBRN O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)CO[C@H]1n1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000150369778 571465602 /nfs/dbraw/zinc/46/56/02/571465602.db2.gz XGXWCISBJRGTOH-AMSOURPBSA-N 0 0 624.558 4.708 40 5 KJBBRN O=C(O[C@@H]1CO[C@H](n2c(=O)oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369781 571465576 /nfs/dbraw/zinc/46/55/76/571465576.db2.gz KWAGFBZEGTZKIC-OLQMUTRHSA-N 0 0 669.555 4.617 40 5 KJBBRN O=C(O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](n2c(=O)oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)OC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369783 571465639 /nfs/dbraw/zinc/46/56/39/571465639.db2.gz KWAGFBZEGTZKIC-AUAHOFGGSA-N 0 0 669.555 4.617 40 5 KJBBRN O=C(O[C@@H]1CO[C@@H](n2c(=O)oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150369786 571465663 /nfs/dbraw/zinc/46/56/63/571465663.db2.gz KWAGFBZEGTZKIC-CXDXLJMYSA-N 0 0 669.555 4.617 40 5 KJBBRN O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)CO[C@H]1n1c(=O)oc2cc([N+](=O)[O-])c([N+](=O)[O-])cc21)c1ccccc1 ZINC000150369787 571465611 /nfs/dbraw/zinc/46/56/11/571465611.db2.gz KWAGFBZEGTZKIC-AMSOURPBSA-N 0 0 669.555 4.617 40 5 KJBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Br)c(C)c2oc3c(C)c(=O)c(N)c(C(=O)N[C@@H](CC(C)C)C(=O)OCC)c-3nc12 ZINC000150382663 571467352 /nfs/dbraw/zinc/46/73/52/571467352.db2.gz FAKYISMOYIKKCG-RTWAWAEBSA-N 0 0 689.604 4.670 40 5 KJBBRN CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc(Br)c(C)c2oc3c(C)c(=O)c(N)c(C(=O)N[C@@H](CC(C)C)C(=O)OCC)c-3nc12 ZINC000150382665 571467310 /nfs/dbraw/zinc/46/73/10/571467310.db2.gz FAKYISMOYIKKCG-SFTDATJTSA-N 0 0 689.604 4.670 40 5 KJBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Br)c(C)c2oc3c(C)c(=O)c(N)c(C(=O)N[C@H](CC(C)C)C(=O)OCC)c-3nc12 ZINC000150382668 571467269 /nfs/dbraw/zinc/46/72/69/571467269.db2.gz FAKYISMOYIKKCG-NHCUHLMSSA-N 0 0 689.604 4.670 40 5 KJBBRN CCOC(=O)[C@@H](CC(C)C)NC(=O)c1c(N)c(=O)c(C)c2oc3c(C)c(Br)cc(C(=O)N[C@@H](CC(C)C)C(=O)OCC)c3nc1-2 ZINC000150382669 571467342 /nfs/dbraw/zinc/46/73/42/571467342.db2.gz FAKYISMOYIKKCG-LEWJYISDSA-N 0 0 689.604 4.670 40 5 KJBBRN 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ZINC000197321270 1066487555 /nfs/dbraw/zinc/48/75/55/1066487555.db2.gz IXKVDXUWXRSACW-KMBIYUNPSA-N 0 0 574.456 4.998 40 5 KJBBRN O=c1/c(=C/c2cccc(I)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000197696075 571564391 /nfs/dbraw/zinc/56/43/91/571564391.db2.gz KNSXABSVHRDINB-CBYYHRJHSA-N 0 0 591.430 4.832 40 5 KJBBRN O=c1/c(=C/c2cccc(I)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 ZINC000197696092 571564383 /nfs/dbraw/zinc/56/43/83/571564383.db2.gz KNSXABSVHRDINB-PNZYDNNZSA-N 0 0 591.430 4.832 40 5 KJBBRN Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000197712358 571564395 /nfs/dbraw/zinc/56/43/95/571564395.db2.gz ZTALFUYUWORDAU-UHFFFAOYSA-N 0 0 532.607 4.575 40 5 KJBBRN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000197764112 571564526 /nfs/dbraw/zinc/56/45/26/571564526.db2.gz AULVYABSJXHIOF-UHFFFAOYSA-N 0 0 516.992 4.810 40 5 KJBBRN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C 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535.372 4.924 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000205798229 571571351 /nfs/dbraw/zinc/57/13/51/571571351.db2.gz RQQUPGNEDSDKKZ-WSDLNYQXSA-N 0 0 590.452 4.994 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000205801670 571571383 /nfs/dbraw/zinc/57/13/83/571571383.db2.gz SWYCQPAJXPHKOH-LPYMAVHISA-N 0 0 556.553 4.743 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000205805159 571571487 /nfs/dbraw/zinc/57/14/87/571571487.db2.gz HKEKKGYAAFKQKC-HZHRSRAPSA-N 0 0 525.583 4.621 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000205809673 571571559 /nfs/dbraw/zinc/57/15/59/571571559.db2.gz YZLWYFCRUBGMED-HZHRSRAPSA-N 0 0 525.583 4.621 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000205811504 571571557 /nfs/dbraw/zinc/57/15/57/571571557.db2.gz WQWZTGHDWZIGMJ-HZHRSRAPSA-N 0 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CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222454079 571361395 /nfs/dbraw/zinc/36/13/95/571361395.db2.gz GYMTULHATKYQJK-GDLZYMKVSA-N 0 0 621.115 4.830 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222454139 571361406 /nfs/dbraw/zinc/36/14/06/571361406.db2.gz GYMTULHATKYQJK-LJAQVGFWSA-N 0 0 621.115 4.830 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222462685 571361953 /nfs/dbraw/zinc/36/19/53/571361953.db2.gz NITXRPVGYIIZDB-RNWIMVQKSA-N 0 0 640.759 4.838 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222462742 571361981 /nfs/dbraw/zinc/36/19/81/571361981.db2.gz NITXRPVGYIIZDB-MUAVYFROSA-N 0 0 640.759 4.838 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222479383 571363515 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CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222511157 571365567 /nfs/dbraw/zinc/36/55/67/571365567.db2.gz DJGJRCWANWVIQQ-RBISFHTESA-N 0 0 596.706 4.521 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222513800 571365874 /nfs/dbraw/zinc/36/58/74/571365874.db2.gz NDQVBOLNBOCGIM-GOSISDBHSA-N 0 0 623.515 4.577 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222513863 571365873 /nfs/dbraw/zinc/36/58/73/571365873.db2.gz NDQVBOLNBOCGIM-SFHVURJKSA-N 0 0 623.515 4.577 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222514460 571365951 /nfs/dbraw/zinc/36/59/51/571365951.db2.gz IISQKWIUIQIOHN-WJOKGBTCSA-N 0 0 648.713 4.632 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222514528 571365955 /nfs/dbraw/zinc/36/59/55/571365955.db2.gz IISQKWIUIQIOHN-HKBQPEDESA-N 0 0 648.713 4.632 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222514603 571365959 /nfs/dbraw/zinc/36/59/59/571365959.db2.gz GIHAWOUDGZUBGK-SANMLTNESA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222514669 571365925 /nfs/dbraw/zinc/36/59/25/571365925.db2.gz GIHAWOUDGZUBGK-AREMUKBSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222514748 571365967 /nfs/dbraw/zinc/36/59/67/571365967.db2.gz WTXLIKOAAYYKLN-SANMLTNESA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222514820 571365950 /nfs/dbraw/zinc/36/59/50/571365950.db2.gz WTXLIKOAAYYKLN-AREMUKBSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222523307 571366995 /nfs/dbraw/zinc/36/69/95/571366995.db2.gz DJYLFDCTKOHBOG-RNWIMVQKSA-N 0 0 640.759 4.838 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222523373 571367001 /nfs/dbraw/zinc/36/70/01/571367001.db2.gz DJYLFDCTKOHBOG-MUAVYFROSA-N 0 0 640.759 4.838 40 5 KJBBRN COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000222541040 571369097 /nfs/dbraw/zinc/36/90/97/571369097.db2.gz YVHWJTFCNYYYDH-HKBQPEDESA-N 0 0 636.771 4.767 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222543705 571369290 /nfs/dbraw/zinc/36/92/90/571369290.db2.gz XQXRMULLTRXFRC-MHZLTWQESA-N 0 0 533.625 4.703 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222543764 571369294 /nfs/dbraw/zinc/36/92/94/571369294.db2.gz XQXRMULLTRXFRC-HHHXNRCGSA-N 0 0 533.625 4.703 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222561777 571371391 /nfs/dbraw/zinc/37/13/91/571371391.db2.gz GCQGIDYPPYMRGW-GOSISDBHSA-N 0 0 623.515 4.577 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222561833 571371429 /nfs/dbraw/zinc/37/14/29/571371429.db2.gz GCQGIDYPPYMRGW-SFHVURJKSA-N 0 0 623.515 4.577 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222563815 571371565 /nfs/dbraw/zinc/37/15/65/571371565.db2.gz QLKLOBDGECASNE-SANMLTNESA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222563893 571371633 /nfs/dbraw/zinc/37/16/33/571371633.db2.gz QLKLOBDGECASNE-AREMUKBSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222563984 571371567 /nfs/dbraw/zinc/37/15/67/571371567.db2.gz XGERGZRZKHYLOZ-SANMLTNESA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222564049 571371594 /nfs/dbraw/zinc/37/15/94/571371594.db2.gz XGERGZRZKHYLOZ-AREMUKBSSA-N 0 0 587.098 4.776 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222564155 571371630 /nfs/dbraw/zinc/37/16/30/571371630.db2.gz ZJPRFWZUOYZCKP-WJOKGBTCSA-N 0 0 648.713 4.632 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222564222 571371608 /nfs/dbraw/zinc/37/16/08/571371608.db2.gz ZJPRFWZUOYZCKP-HKBQPEDESA-N 0 0 648.713 4.632 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222574175 571372641 /nfs/dbraw/zinc/37/26/41/571372641.db2.gz NVSGTBKAVZMKQN-QDPGVEIFSA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222574248 571372599 /nfs/dbraw/zinc/37/25/99/571372599.db2.gz NVSGTBKAVZMKQN-NEKDWFFYSA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222574333 571372603 /nfs/dbraw/zinc/37/26/03/571372603.db2.gz IIZDZYAKYQGNJE-QDPGVEIFSA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222574399 571372742 /nfs/dbraw/zinc/37/27/42/571372742.db2.gz IIZDZYAKYQGNJE-NEKDWFFYSA-N 0 0 580.707 4.555 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222581054 571373297 /nfs/dbraw/zinc/37/32/97/571373297.db2.gz XDLRIRQEJUUFRT-MHZLTWQESA-N 0 0 533.625 4.703 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222581113 571373276 /nfs/dbraw/zinc/37/32/76/571373276.db2.gz XDLRIRQEJUUFRT-HHHXNRCGSA-N 0 0 533.625 4.703 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222587262 571373959 /nfs/dbraw/zinc/37/39/59/571373959.db2.gz QLHWMDNPCHTIAR-FUFSCUOVSA-N 0 0 624.760 4.872 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222587336 571373982 /nfs/dbraw/zinc/37/39/82/571373982.db2.gz QLHWMDNPCHTIAR-PWUYWRBVSA-N 0 0 624.760 4.872 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222594725 571374767 /nfs/dbraw/zinc/37/47/67/571374767.db2.gz SPPIQCCHINCWIF-XMMPIXPASA-N 0 0 556.482 4.977 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222594785 571374774 /nfs/dbraw/zinc/37/47/74/571374774.db2.gz SPPIQCCHINCWIF-DEOSSOPVSA-N 0 0 556.482 4.977 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222601782 571375541 /nfs/dbraw/zinc/37/55/41/571375541.db2.gz NEPAGYUYPVCXBA-GDLZYMKVSA-N 0 0 665.566 4.939 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222601845 571375595 /nfs/dbraw/zinc/37/55/95/571375595.db2.gz NEPAGYUYPVCXBA-LJAQVGFWSA-N 0 0 665.566 4.939 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222601937 571375529 /nfs/dbraw/zinc/37/55/29/571375529.db2.gz CMCZUSNHPLFBCO-GDLZYMKVSA-N 0 0 665.566 4.939 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222602002 571375613 /nfs/dbraw/zinc/37/56/13/571375613.db2.gz CMCZUSNHPLFBCO-LJAQVGFWSA-N 0 0 665.566 4.939 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222613692 571376728 /nfs/dbraw/zinc/37/67/28/571376728.db2.gz JXIIQWLMQBEDHM-NDEPHWFRSA-N 0 0 615.152 4.735 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222628235 571378044 /nfs/dbraw/zinc/37/80/44/571378044.db2.gz DRYPFWQDOHUMPC-MHZLTWQESA-N 0 0 614.696 4.578 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222628316 571378026 /nfs/dbraw/zinc/37/80/26/571378026.db2.gz DRYPFWQDOHUMPC-HHHXNRCGSA-N 0 0 614.696 4.578 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222645835 571379545 /nfs/dbraw/zinc/37/95/45/571379545.db2.gz PPAKTYQFYAPEKH-XMMPIXPASA-N 0 0 556.482 4.977 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000222645902 571379661 /nfs/dbraw/zinc/37/96/61/571379661.db2.gz PPAKTYQFYAPEKH-DEOSSOPVSA-N 0 0 556.482 4.977 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222652763 571380352 /nfs/dbraw/zinc/38/03/52/571380352.db2.gz PEUFIFWBMIUYDR-GDLZYMKVSA-N 0 0 665.566 4.939 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222652834 571380390 /nfs/dbraw/zinc/38/03/90/571380390.db2.gz PEUFIFWBMIUYDR-LJAQVGFWSA-N 0 0 665.566 4.939 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222652922 571380357 /nfs/dbraw/zinc/38/03/57/571380357.db2.gz ASKWMHZENWIJIB-GDLZYMKVSA-N 0 0 665.566 4.939 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222652981 571380382 /nfs/dbraw/zinc/38/03/82/571380382.db2.gz ASKWMHZENWIJIB-LJAQVGFWSA-N 0 0 665.566 4.939 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222655658 571380562 /nfs/dbraw/zinc/38/05/62/571380562.db2.gz OSQLMJOYWTUWTC-NDEPHWFRSA-N 0 0 615.152 4.735 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222656014 571380660 /nfs/dbraw/zinc/38/06/60/571380660.db2.gz FTKQUHWWVCZMBJ-GOSISDBHSA-N 0 0 623.515 4.577 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222656089 571380624 /nfs/dbraw/zinc/38/06/24/571380624.db2.gz FTKQUHWWVCZMBJ-SFHVURJKSA-N 0 0 623.515 4.577 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222690353 571384851 /nfs/dbraw/zinc/38/48/51/571384851.db2.gz UIBQVZTWNBZWJU-QHCPKHFHSA-N 0 0 610.733 4.748 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222696690 571385638 /nfs/dbraw/zinc/38/56/38/571385638.db2.gz JVFRKZNLCYVMNL-NDEPHWFRSA-N 0 0 615.152 4.735 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222696927 571385719 /nfs/dbraw/zinc/38/57/19/571385719.db2.gz ZAHNCMPQCVHJFQ-HSZRJFAPSA-N 0 0 500.382 4.830 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222696979 571385725 /nfs/dbraw/zinc/38/57/25/571385725.db2.gz ZAHNCMPQCVHJFQ-QHCPKHFHSA-N 0 0 500.382 4.830 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222697893 571385824 /nfs/dbraw/zinc/38/58/24/571385824.db2.gz ISIPAJZQFLDPLI-IBGZPJMESA-N 0 0 512.390 4.621 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222697964 571385848 /nfs/dbraw/zinc/38/58/48/571385848.db2.gz ISIPAJZQFLDPLI-LJQANCHMSA-N 0 0 512.390 4.621 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222704816 571386885 /nfs/dbraw/zinc/38/68/85/571386885.db2.gz NSSICUMFAZBJQD-GOSISDBHSA-N 0 0 623.515 4.577 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222704887 571386864 /nfs/dbraw/zinc/38/68/64/571386864.db2.gz NSSICUMFAZBJQD-SFHVURJKSA-N 0 0 623.515 4.577 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222727059 571390097 /nfs/dbraw/zinc/39/00/97/571390097.db2.gz GTDYMCLHFKPXNW-QHCPKHFHSA-N 0 0 610.733 4.748 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222734994 571391238 /nfs/dbraw/zinc/39/12/38/571391238.db2.gz SYEWHGNIWLIFTI-HSZRJFAPSA-N 0 0 546.407 4.675 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222735065 571391243 /nfs/dbraw/zinc/39/12/43/571391243.db2.gz SYEWHGNIWLIFTI-QHCPKHFHSA-N 0 0 546.407 4.675 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222745225 571392453 /nfs/dbraw/zinc/39/24/53/571392453.db2.gz CVZKMFOIIYJXQV-HSZRJFAPSA-N 0 0 500.382 4.830 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222745288 571392412 /nfs/dbraw/zinc/39/24/12/571392412.db2.gz CVZKMFOIIYJXQV-QHCPKHFHSA-N 0 0 500.382 4.830 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222746162 571392513 /nfs/dbraw/zinc/39/25/13/571392513.db2.gz VDKGYLSROUCXGH-IBGZPJMESA-N 0 0 512.390 4.621 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222746227 571392481 /nfs/dbraw/zinc/39/24/81/571392481.db2.gz VDKGYLSROUCXGH-LJQANCHMSA-N 0 0 512.390 4.621 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222746312 571392489 /nfs/dbraw/zinc/39/24/89/571392489.db2.gz INEFTBFFEPXPQC-SANMLTNESA-N 0 0 537.588 4.534 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222746381 571392483 /nfs/dbraw/zinc/39/24/83/571392483.db2.gz INEFTBFFEPXPQC-AREMUKBSSA-N 0 0 537.588 4.534 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222752366 571393211 /nfs/dbraw/zinc/39/32/11/571393211.db2.gz LJNBVJDVURSASN-GOSISDBHSA-N 0 0 623.515 4.577 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222752433 571393200 /nfs/dbraw/zinc/39/32/00/571393200.db2.gz LJNBVJDVURSASN-SFHVURJKSA-N 0 0 623.515 4.577 40 5 KJBBRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222754514 571393418 /nfs/dbraw/zinc/39/34/18/571393418.db2.gz YWRVYXWRGNKGKC-LJQANCHMSA-N 0 0 511.600 4.547 40 5 KJBBRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222754583 571393404 /nfs/dbraw/zinc/39/34/04/571393404.db2.gz YWRVYXWRGNKGKC-IBGZPJMESA-N 0 0 511.600 4.547 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222762602 571394456 /nfs/dbraw/zinc/39/44/56/571394456.db2.gz QPPSIECUCOVWRE-QHCPKHFHSA-N 0 0 610.733 4.748 40 5 KJBBRN COc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222762862 571394384 /nfs/dbraw/zinc/39/43/84/571394384.db2.gz BQMJEFRCOXKQPM-UHFFFAOYSA-N 0 0 519.579 4.577 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222782758 571397001 /nfs/dbraw/zinc/39/70/01/571397001.db2.gz XURLNDVWKSPRGQ-HSZRJFAPSA-N 0 0 546.407 4.675 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222782819 571396984 /nfs/dbraw/zinc/39/69/84/571396984.db2.gz XURLNDVWKSPRGQ-QHCPKHFHSA-N 0 0 546.407 4.675 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222785227 571397225 /nfs/dbraw/zinc/39/72/25/571397225.db2.gz YAMNWEUVHDKKBJ-SANMLTNESA-N 0 0 537.588 4.534 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000222785298 571397290 /nfs/dbraw/zinc/39/72/90/571397290.db2.gz YAMNWEUVHDKKBJ-AREMUKBSSA-N 0 0 537.588 4.534 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222791645 571398156 /nfs/dbraw/zinc/39/81/56/571398156.db2.gz LFONAHARKNPTJS-FQEVSTJZSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222791702 571398181 /nfs/dbraw/zinc/39/81/81/571398181.db2.gz LFONAHARKNPTJS-HXUWFJFHSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222791789 571398182 /nfs/dbraw/zinc/39/81/82/571398182.db2.gz JPTBGGVVMCLMRO-FQEVSTJZSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222791849 571398189 /nfs/dbraw/zinc/39/81/89/571398189.db2.gz JPTBGGVVMCLMRO-HXUWFJFHSA-N 0 0 587.098 4.776 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222792753 571398327 /nfs/dbraw/zinc/39/83/27/571398327.db2.gz HARCAHVILUBMHU-HSZRJFAPSA-N 0 0 500.382 4.830 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222792820 571398364 /nfs/dbraw/zinc/39/83/64/571398364.db2.gz HARCAHVILUBMHU-QHCPKHFHSA-N 0 0 500.382 4.830 40 5 KJBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222794371 571398531 /nfs/dbraw/zinc/39/85/31/571398531.db2.gz FLZJMOUGZVACGT-IBGZPJMESA-N 0 0 512.390 4.621 40 5 KJBBRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222794444 571398584 /nfs/dbraw/zinc/39/85/84/571398584.db2.gz FLZJMOUGZVACGT-LJQANCHMSA-N 0 0 512.390 4.621 40 5 KJBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222809703 571400696 /nfs/dbraw/zinc/40/06/96/571400696.db2.gz LIEIREWEWHGXRB-HHHXNRCGSA-N 0 0 645.576 4.536 40 5 KJBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222809766 571400651 /nfs/dbraw/zinc/40/06/51/571400651.db2.gz LIEIREWEWHGXRB-MHZLTWQESA-N 0 0 645.576 4.536 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222812944 571401182 /nfs/dbraw/zinc/40/11/82/571401182.db2.gz ONOBPFDDIKEYEI-MHZLTWQESA-N 0 0 675.602 4.544 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222815831 571401609 /nfs/dbraw/zinc/40/16/09/571401609.db2.gz OZNQRBCFYUYYNU-NDEPHWFRSA-N 0 0 659.603 4.844 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222830523 571403211 /nfs/dbraw/zinc/40/32/11/571403211.db2.gz BCOUUCIEHNAKEB-HSZRJFAPSA-N 0 0 546.407 4.675 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000222830573 571403187 /nfs/dbraw/zinc/40/31/87/571403187.db2.gz BCOUUCIEHNAKEB-QHCPKHFHSA-N 0 0 546.407 4.675 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222831392 571403262 /nfs/dbraw/zinc/40/32/62/571403262.db2.gz UVBRXRXDLANFIZ-FQEVSTJZSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000222831455 571403266 /nfs/dbraw/zinc/40/32/66/571403266.db2.gz UVBRXRXDLANFIZ-HXUWFJFHSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222831524 571403312 /nfs/dbraw/zinc/40/33/12/571403312.db2.gz VJYPWDMCADUOEK-FQEVSTJZSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000222831589 571403272 /nfs/dbraw/zinc/40/32/72/571403272.db2.gz VJYPWDMCADUOEK-HXUWFJFHSA-N 0 0 587.098 4.776 40 5 KJBBRN COc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222841466 571404470 /nfs/dbraw/zinc/40/44/70/571404470.db2.gz BZEBPEQIWGPYAX-UHFFFAOYSA-N 0 0 519.579 4.577 40 5 KJBBRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222848951 571405332 /nfs/dbraw/zinc/40/53/32/571405332.db2.gz XXKYAMLZCJOVCF-HHHXNRCGSA-N 0 0 645.576 4.536 40 5 KJBBRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000222849009 571405352 /nfs/dbraw/zinc/40/53/52/571405352.db2.gz XXKYAMLZCJOVCF-MHZLTWQESA-N 0 0 645.576 4.536 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222852313 571405699 /nfs/dbraw/zinc/40/56/99/571405699.db2.gz FQHUDVDIXOZMIM-MHZLTWQESA-N 0 0 675.602 4.544 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000222855134 571405999 /nfs/dbraw/zinc/40/59/99/571405999.db2.gz SKRULWHZKXQPIM-NDEPHWFRSA-N 0 0 659.603 4.844 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222859860 571406621 /nfs/dbraw/zinc/40/66/21/571406621.db2.gz BOHHPCBNUVKRDY-JGCGQSQUSA-N 0 0 660.749 4.502 40 5 KJBBRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222859919 571406636 /nfs/dbraw/zinc/40/66/36/571406636.db2.gz BOHHPCBNUVKRDY-YTTGMZPUSA-N 0 0 660.749 4.502 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222880796 571409177 /nfs/dbraw/zinc/40/91/77/571409177.db2.gz NKDYFOYVXQZSEC-NRFANRHFSA-N 0 0 614.696 4.578 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222913338 571412473 /nfs/dbraw/zinc/41/24/73/571412473.db2.gz GAUWOBUEHJJWQN-LJQANCHMSA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222913402 571412425 /nfs/dbraw/zinc/41/24/25/571412425.db2.gz GAUWOBUEHJJWQN-IBGZPJMESA-N 0 0 637.542 4.967 40 5 KJBBRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000222922392 571413369 /nfs/dbraw/zinc/41/33/69/571413369.db2.gz ORHPXCNTRAFJFZ-FQEVSTJZSA-N 0 0 537.638 4.863 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222937904 571414942 /nfs/dbraw/zinc/41/49/42/571414942.db2.gz DWTRCJLZVHJJSS-AWEZNQCLSA-N 0 0 512.390 4.621 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222937957 571414907 /nfs/dbraw/zinc/41/49/07/571414907.db2.gz DWTRCJLZVHJJSS-CQSZACIVSA-N 0 0 512.390 4.621 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222978567 571419049 /nfs/dbraw/zinc/41/90/49/571419049.db2.gz SPEYYODNPLRZLS-AWEZNQCLSA-N 0 0 512.390 4.621 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000222978618 571419089 /nfs/dbraw/zinc/41/90/89/571419089.db2.gz SPEYYODNPLRZLS-CQSZACIVSA-N 0 0 512.390 4.621 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222991111 571419856 /nfs/dbraw/zinc/41/98/56/571419856.db2.gz FISXXDQVDMWFQT-DEOSSOPVSA-N 0 0 617.124 4.622 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000222991177 193935723 /nfs/dbraw/zinc/93/57/23/193935723.db2.gz FISXXDQVDMWFQT-XMMPIXPASA-N 0 0 617.124 4.622 40 5 KJBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222993830 193936516 /nfs/dbraw/zinc/93/65/16/193936516.db2.gz IPQDXDOBTCFHKQ-MHZLTWQESA-N 0 0 503.599 4.558 40 5 KJBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222993899 571420073 /nfs/dbraw/zinc/42/00/73/571420073.db2.gz IPQDXDOBTCFHKQ-HHHXNRCGSA-N 0 0 503.599 4.558 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223017281 571422155 /nfs/dbraw/zinc/42/21/55/571422155.db2.gz QQTNJHKXXXDSTP-XMMPIXPASA-N 0 0 610.733 4.749 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223017335 571422064 /nfs/dbraw/zinc/42/20/64/571422064.db2.gz QQTNJHKXXXDSTP-DEOSSOPVSA-N 0 0 610.733 4.749 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000223018407 193945374 /nfs/dbraw/zinc/94/53/74/193945374.db2.gz AVHNJVLKNIKTPW-AWEZNQCLSA-N 0 0 512.390 4.621 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000223018458 571422290 /nfs/dbraw/zinc/42/22/90/571422290.db2.gz AVHNJVLKNIKTPW-CQSZACIVSA-N 0 0 512.390 4.621 40 5 KJBBRN CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223029952 571423401 /nfs/dbraw/zinc/42/34/01/571423401.db2.gz NSFPMSCBHQAJFK-AREMUKBSSA-N 0 0 507.612 4.936 40 5 KJBBRN CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223030006 571423431 /nfs/dbraw/zinc/42/34/31/571423431.db2.gz NSFPMSCBHQAJFK-SANMLTNESA-N 0 0 507.612 4.936 40 5 KJBBRN CC[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223030085 571423412 /nfs/dbraw/zinc/42/34/12/571423412.db2.gz DDOKDMURHNMXKK-AREMUKBSSA-N 0 0 507.612 4.936 40 5 KJBBRN CC[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223030142 571423386 /nfs/dbraw/zinc/42/33/86/571423386.db2.gz DDOKDMURHNMXKK-SANMLTNESA-N 0 0 507.612 4.936 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223037981 571424440 /nfs/dbraw/zinc/42/44/40/571424440.db2.gz FPRWBPRBTZZZQB-NHCUHLMSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223038018 571424424 /nfs/dbraw/zinc/42/44/24/571424424.db2.gz FKFCFIDBOAORBN-DEOSSOPVSA-N 0 0 617.124 4.622 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223038041 571424420 /nfs/dbraw/zinc/42/44/20/571424420.db2.gz FPRWBPRBTZZZQB-LEWJYISDSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223038085 571424423 /nfs/dbraw/zinc/42/44/23/571424423.db2.gz FKFCFIDBOAORBN-XMMPIXPASA-N 0 0 617.124 4.622 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223038134 571424452 /nfs/dbraw/zinc/42/44/52/571424452.db2.gz SBVCSSMKBGEIMK-NHCUHLMSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223038186 571424436 /nfs/dbraw/zinc/42/44/36/571424436.db2.gz SBVCSSMKBGEIMK-LEWJYISDSA-N 0 0 587.098 4.776 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223066181 571427421 /nfs/dbraw/zinc/42/74/21/571427421.db2.gz BOBGVPHSHYYXSL-XMMPIXPASA-N 0 0 610.733 4.749 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223066244 571427404 /nfs/dbraw/zinc/42/74/04/571427404.db2.gz BOBGVPHSHYYXSL-DEOSSOPVSA-N 0 0 610.733 4.749 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223084544 571429352 /nfs/dbraw/zinc/42/93/52/571429352.db2.gz KSKDSNRGXNFSFW-DEOSSOPVSA-N 0 0 617.124 4.622 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223084601 571429350 /nfs/dbraw/zinc/42/93/50/571429350.db2.gz KSKDSNRGXNFSFW-XMMPIXPASA-N 0 0 617.124 4.622 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223092680 571430137 /nfs/dbraw/zinc/43/01/37/571430137.db2.gz XGUKTFYUMUJALD-SSEXGKCCSA-N 0 0 600.697 4.566 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223092739 571430154 /nfs/dbraw/zinc/43/01/54/571430154.db2.gz XGUKTFYUMUJALD-PMERELPUSA-N 0 0 600.697 4.566 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223092821 571430152 /nfs/dbraw/zinc/43/01/52/571430152.db2.gz GKMKCWPWAFHFRT-SSEXGKCCSA-N 0 0 600.697 4.566 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223092893 571430274 /nfs/dbraw/zinc/43/02/74/571430274.db2.gz GKMKCWPWAFHFRT-PMERELPUSA-N 0 0 600.697 4.566 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223104917 571431760 /nfs/dbraw/zinc/43/17/60/571431760.db2.gz LSUGLIGHLAXQPU-JGCGQSQUSA-N 0 0 644.750 4.883 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223104965 571431730 /nfs/dbraw/zinc/43/17/30/571431730.db2.gz LSUGLIGHLAXQPU-YTTGMZPUSA-N 0 0 644.750 4.883 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223107964 571432054 /nfs/dbraw/zinc/43/20/54/571432054.db2.gz QYDVAPQJFMUNQZ-FGZHOGPDSA-N 0 0 614.696 4.578 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223108023 571432168 /nfs/dbraw/zinc/43/21/68/571432168.db2.gz QYDVAPQJFMUNQZ-FCHUYYIVSA-N 0 0 614.696 4.578 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223116555 571433252 /nfs/dbraw/zinc/43/32/52/571433252.db2.gz NHVHDUVVBFXIPA-XMMPIXPASA-N 0 0 610.733 4.749 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223116609 571433233 /nfs/dbraw/zinc/43/32/33/571433233.db2.gz NHVHDUVVBFXIPA-DEOSSOPVSA-N 0 0 610.733 4.749 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223130153 571434597 /nfs/dbraw/zinc/43/45/97/571434597.db2.gz LDVZZDQKRIATJB-QHCPKHFHSA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223130213 571434549 /nfs/dbraw/zinc/43/45/49/571434549.db2.gz LDVZZDQKRIATJB-HSZRJFAPSA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223133244 571434632 /nfs/dbraw/zinc/43/46/32/571434632.db2.gz FHNLHFZBTIMLBF-AREMUKBSSA-N 0 0 505.640 4.913 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223133302 571434800 /nfs/dbraw/zinc/43/48/00/571434800.db2.gz FHNLHFZBTIMLBF-SANMLTNESA-N 0 0 505.640 4.913 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223139660 571435325 /nfs/dbraw/zinc/43/53/25/571435325.db2.gz FTFPZFFIMLXESC-WJOKGBTCSA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223139712 571435342 /nfs/dbraw/zinc/43/53/42/571435342.db2.gz FTFPZFFIMLXESC-HKBQPEDESA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223139802 571435302 /nfs/dbraw/zinc/43/53/02/571435302.db2.gz KQHWOIYBMXMUHE-WJOKGBTCSA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223139851 571435351 /nfs/dbraw/zinc/43/53/51/571435351.db2.gz KQHWOIYBMXMUHE-HKBQPEDESA-N 0 0 614.724 4.875 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223141752 571435528 /nfs/dbraw/zinc/43/55/28/571435528.db2.gz XSHSMLSDYATNPK-SANMLTNESA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223141809 571435524 /nfs/dbraw/zinc/43/55/24/571435524.db2.gz XSHSMLSDYATNPK-AREMUKBSSA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223141893 571435538 /nfs/dbraw/zinc/43/55/38/571435538.db2.gz NMOUSHOIMFBWGR-SANMLTNESA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223141951 571435566 /nfs/dbraw/zinc/43/55/66/571435566.db2.gz NMOUSHOIMFBWGR-AREMUKBSSA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223146538 571436256 /nfs/dbraw/zinc/43/62/56/571436256.db2.gz QZVOTNCYORHJDT-IAGOWNOFSA-N 0 0 522.465 4.923 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223146589 571436247 /nfs/dbraw/zinc/43/62/47/571436247.db2.gz QZVOTNCYORHJDT-DLBZAZTESA-N 0 0 522.465 4.923 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223146646 571436289 /nfs/dbraw/zinc/43/62/89/571436289.db2.gz QZVOTNCYORHJDT-SJORKVTESA-N 0 0 522.465 4.923 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223146708 571436310 /nfs/dbraw/zinc/43/63/10/571436310.db2.gz QZVOTNCYORHJDT-IRXDYDNUSA-N 0 0 522.465 4.923 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223152562 571437101 /nfs/dbraw/zinc/43/71/01/571437101.db2.gz UAAIBDBNJRYMCJ-OAQYLSRUSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223152617 571437196 /nfs/dbraw/zinc/43/71/96/571437196.db2.gz UAAIBDBNJRYMCJ-NRFANRHFSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223152690 571437182 /nfs/dbraw/zinc/43/71/82/571437182.db2.gz WRERTDPIWWZFLH-OAQYLSRUSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223152744 571437227 /nfs/dbraw/zinc/43/72/27/571437227.db2.gz WRERTDPIWWZFLH-NRFANRHFSA-N 0 0 587.098 4.777 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223153728 571437286 /nfs/dbraw/zinc/43/72/86/571437286.db2.gz YQCVHZZGPIQOBO-MHZLTWQESA-N 0 0 610.733 4.829 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223153800 571437299 /nfs/dbraw/zinc/43/72/99/571437299.db2.gz YQCVHZZGPIQOBO-HHHXNRCGSA-N 0 0 610.733 4.829 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223154662 571437421 /nfs/dbraw/zinc/43/74/21/571437421.db2.gz TVQDTPXLKWSTRZ-NHCUHLMSSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223154723 571437482 /nfs/dbraw/zinc/43/74/82/571437482.db2.gz TVQDTPXLKWSTRZ-LEWJYISDSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223154813 571437497 /nfs/dbraw/zinc/43/74/97/571437497.db2.gz KLSZJPHAXKAHLX-NHCUHLMSSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223154867 571437520 /nfs/dbraw/zinc/43/75/20/571437520.db2.gz KLSZJPHAXKAHLX-LEWJYISDSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223174342 571440766 /nfs/dbraw/zinc/44/07/66/571440766.db2.gz CYXYPTJRLHUUFT-QHCPKHFHSA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223174396 571440768 /nfs/dbraw/zinc/44/07/68/571440768.db2.gz CYXYPTJRLHUUFT-HSZRJFAPSA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 ZINC000223178092 571441317 /nfs/dbraw/zinc/44/13/17/571441317.db2.gz ALXAOKJCRLGTKT-XMMPIXPASA-N 0 0 541.626 4.692 40 5 KJBBRN CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 ZINC000223178155 571441264 /nfs/dbraw/zinc/44/12/64/571441264.db2.gz ALXAOKJCRLGTKT-DEOSSOPVSA-N 0 0 541.626 4.692 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223180979 571441584 /nfs/dbraw/zinc/44/15/84/571441584.db2.gz VHLNBZWMUXFENO-AREMUKBSSA-N 0 0 505.640 4.913 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223181034 571441561 /nfs/dbraw/zinc/44/15/61/571441561.db2.gz VHLNBZWMUXFENO-SANMLTNESA-N 0 0 505.640 4.913 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223187389 571442518 /nfs/dbraw/zinc/44/25/18/571442518.db2.gz STVFFYPNWMWFCT-WJOKGBTCSA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223187443 571442551 /nfs/dbraw/zinc/44/25/51/571442551.db2.gz STVFFYPNWMWFCT-HKBQPEDESA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223187523 571442673 /nfs/dbraw/zinc/44/26/73/571442673.db2.gz QIBJWCRBYVTTHN-WJOKGBTCSA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223187577 571442583 /nfs/dbraw/zinc/44/25/83/571442583.db2.gz QIBJWCRBYVTTHN-HKBQPEDESA-N 0 0 614.724 4.875 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223187684 571442636 /nfs/dbraw/zinc/44/26/36/571442636.db2.gz UYFKRXBGANWOEB-MHZLTWQESA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223187746 571442690 /nfs/dbraw/zinc/44/26/90/571442690.db2.gz UYFKRXBGANWOEB-HHHXNRCGSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223187838 571442625 /nfs/dbraw/zinc/44/26/25/571442625.db2.gz GLJOTHYVMIZLDF-MHZLTWQESA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223187896 571442661 /nfs/dbraw/zinc/44/26/61/571442661.db2.gz GLJOTHYVMIZLDF-HHHXNRCGSA-N 0 0 580.707 4.821 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223200557 571444047 /nfs/dbraw/zinc/44/40/47/571444047.db2.gz ZDVRBNNSCJHTSS-OAQYLSRUSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223200614 571444073 /nfs/dbraw/zinc/44/40/73/571444073.db2.gz ZDVRBNNSCJHTSS-NRFANRHFSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223200701 571444091 /nfs/dbraw/zinc/44/40/91/571444091.db2.gz WLHGQVRMHGUGOJ-OAQYLSRUSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223200766 571444063 /nfs/dbraw/zinc/44/40/63/571444063.db2.gz WLHGQVRMHGUGOJ-NRFANRHFSA-N 0 0 587.098 4.777 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223205745 571444843 /nfs/dbraw/zinc/44/48/43/571444843.db2.gz HVQCBJNIQYAQBE-IAGOWNOFSA-N 0 0 522.465 4.923 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223205802 571444819 /nfs/dbraw/zinc/44/48/19/571444819.db2.gz HVQCBJNIQYAQBE-DLBZAZTESA-N 0 0 522.465 4.923 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223205867 571444832 /nfs/dbraw/zinc/44/48/32/571444832.db2.gz HVQCBJNIQYAQBE-SJORKVTESA-N 0 0 522.465 4.923 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223205924 571444814 /nfs/dbraw/zinc/44/48/14/571444814.db2.gz HVQCBJNIQYAQBE-IRXDYDNUSA-N 0 0 522.465 4.923 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223212782 571445925 /nfs/dbraw/zinc/44/59/25/571445925.db2.gz YFJRWEOTQPBOPI-NHCUHLMSSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223212837 571445926 /nfs/dbraw/zinc/44/59/26/571445926.db2.gz YFJRWEOTQPBOPI-LEWJYISDSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223212919 571445908 /nfs/dbraw/zinc/44/59/08/571445908.db2.gz PERZVHIAIGFPSN-NHCUHLMSSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223212985 571445936 /nfs/dbraw/zinc/44/59/36/571445936.db2.gz PERZVHIAIGFPSN-LEWJYISDSA-N 0 0 631.549 4.885 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223227518 571447606 /nfs/dbraw/zinc/44/76/06/571447606.db2.gz XLZFDUQXXWGHOC-AREMUKBSSA-N 0 0 505.640 4.913 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223227576 571447595 /nfs/dbraw/zinc/44/75/95/571447595.db2.gz XLZFDUQXXWGHOC-SANMLTNESA-N 0 0 505.640 4.913 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223233020 571448439 /nfs/dbraw/zinc/44/84/39/571448439.db2.gz MVCFBSZEGDEUKX-MHZLTWQESA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223233067 571448424 /nfs/dbraw/zinc/44/84/24/571448424.db2.gz MVCFBSZEGDEUKX-HHHXNRCGSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223233146 571448417 /nfs/dbraw/zinc/44/84/17/571448417.db2.gz KFSINJBZTASDIO-MHZLTWQESA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223233207 571448390 /nfs/dbraw/zinc/44/83/90/571448390.db2.gz KFSINJBZTASDIO-HHHXNRCGSA-N 0 0 580.707 4.821 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223233582 571448507 /nfs/dbraw/zinc/44/85/07/571448507.db2.gz QNJFHOAXGMEEHT-WJOKGBTCSA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223233642 571448465 /nfs/dbraw/zinc/44/84/65/571448465.db2.gz QNJFHOAXGMEEHT-HKBQPEDESA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223233723 571448518 /nfs/dbraw/zinc/44/85/18/571448518.db2.gz BDDMWLYVACUAAK-WJOKGBTCSA-N 0 0 614.724 4.875 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223233779 571448499 /nfs/dbraw/zinc/44/84/99/571448499.db2.gz BDDMWLYVACUAAK-HKBQPEDESA-N 0 0 614.724 4.875 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223248149 571450265 /nfs/dbraw/zinc/45/02/65/571450265.db2.gz QOTWLNSNOLNZIX-DEOSSOPVSA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223248213 571450308 /nfs/dbraw/zinc/45/03/08/571450308.db2.gz QOTWLNSNOLNZIX-XMMPIXPASA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223248292 571450273 /nfs/dbraw/zinc/45/02/73/571450273.db2.gz LQNAIZDWZNJKHQ-DEOSSOPVSA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223248356 571450436 /nfs/dbraw/zinc/45/04/36/571450436.db2.gz LQNAIZDWZNJKHQ-XMMPIXPASA-N 0 0 593.489 4.650 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223258617 571451733 /nfs/dbraw/zinc/45/17/33/571451733.db2.gz PUSPRIFWGPWURC-JOCHJYFZSA-N 0 0 614.696 4.580 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223258672 571451753 /nfs/dbraw/zinc/45/17/53/571451753.db2.gz PUSPRIFWGPWURC-QFIPXVFZSA-N 0 0 614.696 4.580 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223259455 571451831 /nfs/dbraw/zinc/45/18/31/571451831.db2.gz SIDWXUHZMMYIAE-VWLOTQADSA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223259504 571451895 /nfs/dbraw/zinc/45/18/95/571451895.db2.gz SIDWXUHZMMYIAE-RUZDIDTESA-N 0 0 637.542 4.967 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223260171 571451871 /nfs/dbraw/zinc/45/18/71/571451871.db2.gz VUXXVSKWMRENDE-UHFFFAOYSA-N 0 0 585.689 4.890 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223278238 571453893 /nfs/dbraw/zinc/45/38/93/571453893.db2.gz VSZKJUSJJWAWDB-MHZLTWQESA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223278310 571453891 /nfs/dbraw/zinc/45/38/91/571453891.db2.gz VSZKJUSJJWAWDB-HHHXNRCGSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223278392 571453903 /nfs/dbraw/zinc/45/39/03/571453903.db2.gz CUNPVZDZGVCJFH-MHZLTWQESA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223278449 571453932 /nfs/dbraw/zinc/45/39/32/571453932.db2.gz CUNPVZDZGVCJFH-HHHXNRCGSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223292068 571456018 /nfs/dbraw/zinc/45/60/18/571456018.db2.gz ORKDNWCKCSGKCP-DEOSSOPVSA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223292120 571456029 /nfs/dbraw/zinc/45/60/29/571456029.db2.gz ORKDNWCKCSGKCP-XMMPIXPASA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223292203 571456009 /nfs/dbraw/zinc/45/60/09/571456009.db2.gz CNKIIXXSADVWRH-DEOSSOPVSA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223292257 571455997 /nfs/dbraw/zinc/45/59/97/571455997.db2.gz CNKIIXXSADVWRH-XMMPIXPASA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223303485 571457926 /nfs/dbraw/zinc/45/79/26/571457926.db2.gz NOWBTOIDXZTEKW-VWLOTQADSA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223303559 571457858 /nfs/dbraw/zinc/45/78/58/571457858.db2.gz NOWBTOIDXZTEKW-RUZDIDTESA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223304708 571458102 /nfs/dbraw/zinc/45/81/02/571458102.db2.gz ICUHKLIARXCWMV-QFQXNSOFSA-N 0 0 519.598 4.537 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223304758 571458098 /nfs/dbraw/zinc/45/80/98/571458098.db2.gz ICUHKLIARXCWMV-HFZDXXHNSA-N 0 0 519.598 4.537 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223304808 571458120 /nfs/dbraw/zinc/45/81/20/571458120.db2.gz ICUHKLIARXCWMV-RLWLMLJZSA-N 0 0 519.598 4.537 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223304868 571458206 /nfs/dbraw/zinc/45/82/06/571458206.db2.gz ICUHKLIARXCWMV-LVXARBLLSA-N 0 0 519.598 4.537 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223323621 571460484 /nfs/dbraw/zinc/46/04/84/571460484.db2.gz XPEWSZHCCDZEDI-OAHLLOKOSA-N 0 0 512.390 4.623 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223323675 571460523 /nfs/dbraw/zinc/46/05/23/571460523.db2.gz XPEWSZHCCDZEDI-HNNXBMFYSA-N 0 0 512.390 4.623 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223336381 571462225 /nfs/dbraw/zinc/46/22/25/571462225.db2.gz MIPREVAOUAJZTO-DEOSSOPVSA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223336432 571462221 /nfs/dbraw/zinc/46/22/21/571462221.db2.gz MIPREVAOUAJZTO-XMMPIXPASA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223336518 571462197 /nfs/dbraw/zinc/46/21/97/571462197.db2.gz KCIYPBTUCACASY-DEOSSOPVSA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223336584 571462230 /nfs/dbraw/zinc/46/22/30/571462230.db2.gz KCIYPBTUCACASY-XMMPIXPASA-N 0 0 593.489 4.650 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223347549 571463983 /nfs/dbraw/zinc/46/39/83/571463983.db2.gz MMQSNBYCBCVARF-FUFSCUOVSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223347602 571464042 /nfs/dbraw/zinc/46/40/42/571464042.db2.gz MMQSNBYCBCVARF-PWUYWRBVSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223347939 571464040 /nfs/dbraw/zinc/46/40/40/571464040.db2.gz KRBROMVRWBPAKG-VWLOTQADSA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223347988 571463954 /nfs/dbraw/zinc/46/39/54/571463954.db2.gz KRBROMVRWBPAKG-RUZDIDTESA-N 0 0 637.542 4.967 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223361627 571465601 /nfs/dbraw/zinc/46/56/01/571465601.db2.gz YMFKPTFFYFEHCX-AJTFRIOCSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223361685 571465620 /nfs/dbraw/zinc/46/56/20/571465620.db2.gz YMFKPTFFYFEHCX-WXVAWEFUSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223361733 571465658 /nfs/dbraw/zinc/46/56/58/571465658.db2.gz YMFKPTFFYFEHCX-AMGIVPHBSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223361786 571465642 /nfs/dbraw/zinc/46/56/42/571465642.db2.gz YMFKPTFFYFEHCX-CUNXSJBXSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223363474 571465795 /nfs/dbraw/zinc/46/57/95/571465795.db2.gz ZHXISUVQTHHUDR-AVRDEDQJSA-N 0 0 505.637 4.766 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223363542 571465850 /nfs/dbraw/zinc/46/58/50/571465850.db2.gz ZHXISUVQTHHUDR-PGRDOPGGSA-N 0 0 505.637 4.766 40 5 KJBBRN COc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223365318 571466012 /nfs/dbraw/zinc/46/60/12/571466012.db2.gz ATRAKJOUSLQZPJ-LJQANCHMSA-N 0 0 505.637 4.767 40 5 KJBBRN COc1cc(C)c([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223365359 571466050 /nfs/dbraw/zinc/46/60/50/571466050.db2.gz ATRAKJOUSLQZPJ-IBGZPJMESA-N 0 0 505.637 4.767 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223370055 571466730 /nfs/dbraw/zinc/46/67/30/571466730.db2.gz FYFTUTPMCAXMTA-OAHLLOKOSA-N 0 0 512.390 4.623 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223370109 571466770 /nfs/dbraw/zinc/46/67/70/571466770.db2.gz FYFTUTPMCAXMTA-HNNXBMFYSA-N 0 0 512.390 4.623 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223403530 571472142 /nfs/dbraw/zinc/47/21/42/571472142.db2.gz KDDSNBRWHBVEJK-FUFSCUOVSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223403582 571472121 /nfs/dbraw/zinc/47/21/21/571472121.db2.gz KDDSNBRWHBVEJK-PWUYWRBVSA-N 0 0 594.734 4.532 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223410243 571472612 /nfs/dbraw/zinc/47/26/12/571472612.db2.gz CEECORHCGIIQJS-RUZDIDTESA-N 0 0 509.603 4.743 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223410304 571472651 /nfs/dbraw/zinc/47/26/51/571472651.db2.gz CEECORHCGIIQJS-VWLOTQADSA-N 0 0 509.603 4.743 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223413476 571473069 /nfs/dbraw/zinc/47/30/69/571473069.db2.gz KHBNNQVERKFFMR-SANMLTNESA-N 0 0 584.670 4.651 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223413534 571473106 /nfs/dbraw/zinc/47/31/06/571473106.db2.gz KHBNNQVERKFFMR-AREMUKBSSA-N 0 0 584.670 4.651 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223413614 571473046 /nfs/dbraw/zinc/47/30/46/571473046.db2.gz JBBZWVVQOIJAPA-SANMLTNESA-N 0 0 584.670 4.651 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223413678 571473077 /nfs/dbraw/zinc/47/30/77/571473077.db2.gz JBBZWVVQOIJAPA-AREMUKBSSA-N 0 0 584.670 4.651 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223416484 571473382 /nfs/dbraw/zinc/47/33/82/571473382.db2.gz VQSWVYHQXJQCKO-SSEXGKCCSA-N 0 0 618.687 4.705 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223416545 571473388 /nfs/dbraw/zinc/47/33/88/571473388.db2.gz VQSWVYHQXJQCKO-PMERELPUSA-N 0 0 618.687 4.705 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223416624 571473413 /nfs/dbraw/zinc/47/34/13/571473413.db2.gz VNEUMKJYJBABNX-SSEXGKCCSA-N 0 0 618.687 4.705 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223416683 571473374 /nfs/dbraw/zinc/47/33/74/571473374.db2.gz VNEUMKJYJBABNX-PMERELPUSA-N 0 0 618.687 4.705 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223416864 571473451 /nfs/dbraw/zinc/47/34/51/571473451.db2.gz GCPWELUQFBZAHB-OAHLLOKOSA-N 0 0 512.390 4.623 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223416912 571473522 /nfs/dbraw/zinc/47/35/22/571473522.db2.gz GCPWELUQFBZAHB-HNNXBMFYSA-N 0 0 512.390 4.623 40 5 KJBBRN COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223416924 571473464 /nfs/dbraw/zinc/47/34/64/571473464.db2.gz YEWBXTNGZOQGSM-NRFANRHFSA-N 0 0 525.627 4.910 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223417328 571473489 /nfs/dbraw/zinc/47/34/89/571473489.db2.gz QQPGLYGQARSSCO-AJTFRIOCSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223417384 571473557 /nfs/dbraw/zinc/47/35/57/571473557.db2.gz QQPGLYGQARSSCO-WXVAWEFUSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223417431 571473520 /nfs/dbraw/zinc/47/35/20/571473520.db2.gz QQPGLYGQARSSCO-AMGIVPHBSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223417483 571473532 /nfs/dbraw/zinc/47/35/32/571473532.db2.gz QQPGLYGQARSSCO-CUNXSJBXSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223424794 571474672 /nfs/dbraw/zinc/47/46/72/571474672.db2.gz DKNZBIOAJOPEBB-MHZLTWQESA-N 0 0 628.723 4.968 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223424864 571474598 /nfs/dbraw/zinc/47/45/98/571474598.db2.gz DKNZBIOAJOPEBB-HHHXNRCGSA-N 0 0 628.723 4.968 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223455860 571479149 /nfs/dbraw/zinc/47/91/49/571479149.db2.gz HDCAHQNWTCBEPH-RUZDIDTESA-N 0 0 509.603 4.743 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223455909 571479153 /nfs/dbraw/zinc/47/91/53/571479153.db2.gz HDCAHQNWTCBEPH-VWLOTQADSA-N 0 0 509.603 4.743 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223460414 571479955 /nfs/dbraw/zinc/47/99/55/571479955.db2.gz OGBJXNCTHMNTSZ-FUFSCUOVSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223460473 571479970 /nfs/dbraw/zinc/47/99/70/571479970.db2.gz OGBJXNCTHMNTSZ-PWUYWRBVSA-N 0 0 594.734 4.532 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223461879 571480179 /nfs/dbraw/zinc/48/01/79/571480179.db2.gz URHFMOREMDNAMR-SSEXGKCCSA-N 0 0 618.687 4.705 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223461927 571480135 /nfs/dbraw/zinc/48/01/35/571480135.db2.gz URHFMOREMDNAMR-PMERELPUSA-N 0 0 618.687 4.705 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223462015 571480275 /nfs/dbraw/zinc/48/02/75/571480275.db2.gz HCSWMUMJTXUTJC-SSEXGKCCSA-N 0 0 618.687 4.705 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223462076 571480259 /nfs/dbraw/zinc/48/02/59/571480259.db2.gz HCSWMUMJTXUTJC-PMERELPUSA-N 0 0 618.687 4.705 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223474073 571483049 /nfs/dbraw/zinc/48/30/49/571483049.db2.gz UCQJKMWPQLCHDU-AJTFRIOCSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223474133 571483055 /nfs/dbraw/zinc/48/30/55/571483055.db2.gz UCQJKMWPQLCHDU-WXVAWEFUSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223474188 571482988 /nfs/dbraw/zinc/48/29/88/571482988.db2.gz UCQJKMWPQLCHDU-AMGIVPHBSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223474244 571482948 /nfs/dbraw/zinc/48/29/48/571482948.db2.gz UCQJKMWPQLCHDU-CUNXSJBXSA-N 0 0 533.625 4.845 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223479055 571483965 /nfs/dbraw/zinc/48/39/65/571483965.db2.gz XNLDLZUGIICCPE-NRFANRHFSA-N 0 0 587.526 4.698 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223479118 571483994 /nfs/dbraw/zinc/48/39/94/571483994.db2.gz XNLDLZUGIICCPE-OAQYLSRUSA-N 0 0 587.526 4.698 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223502411 571488169 /nfs/dbraw/zinc/48/81/69/571488169.db2.gz YFCBZJORGYXDLS-XMMPIXPASA-N 0 0 524.415 4.676 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223502476 571488055 /nfs/dbraw/zinc/48/80/55/571488055.db2.gz YFCBZJORGYXDLS-DEOSSOPVSA-N 0 0 524.415 4.676 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223508943 571489596 /nfs/dbraw/zinc/48/95/96/571489596.db2.gz FSKMLVXTUGKATQ-JIPXPUAJSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223508993 571489546 /nfs/dbraw/zinc/48/95/46/571489546.db2.gz FSKMLVXTUGKATQ-KDYSTLNUSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223513171 571490675 /nfs/dbraw/zinc/49/06/75/571490675.db2.gz ZYVUAYLIQHMXKS-JIPXPUAJSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223513227 571490657 /nfs/dbraw/zinc/49/06/57/571490657.db2.gz ZYVUAYLIQHMXKS-KDYSTLNUSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223516452 571491723 /nfs/dbraw/zinc/49/17/23/571491723.db2.gz AZTQTTIHMZFKCM-SKCUWOTOSA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223516502 571491949 /nfs/dbraw/zinc/49/19/49/571491949.db2.gz AZTQTTIHMZFKCM-RBISFHTESA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223524790 571493997 /nfs/dbraw/zinc/49/39/97/571493997.db2.gz FBWOUNJNDZBNGM-NRFANRHFSA-N 0 0 587.526 4.698 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223524833 571493939 /nfs/dbraw/zinc/49/39/39/571493939.db2.gz FBWOUNJNDZBNGM-OAQYLSRUSA-N 0 0 587.526 4.698 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223539844 571497978 /nfs/dbraw/zinc/49/79/78/571497978.db2.gz LZXKVEHBXGBATO-XMMPIXPASA-N 0 0 570.440 4.521 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223539895 571497984 /nfs/dbraw/zinc/49/79/84/571497984.db2.gz LZXKVEHBXGBATO-DEOSSOPVSA-N 0 0 570.440 4.521 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223549477 571499560 /nfs/dbraw/zinc/49/95/60/571499560.db2.gz DSRLHOMGHWMAMQ-XMMPIXPASA-N 0 0 524.415 4.676 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223549545 571499551 /nfs/dbraw/zinc/49/95/51/571499551.db2.gz DSRLHOMGHWMAMQ-DEOSSOPVSA-N 0 0 524.415 4.676 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223565454 571503064 /nfs/dbraw/zinc/50/30/64/571503064.db2.gz XOENWSRKTLMFES-JIPXPUAJSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223565523 571503125 /nfs/dbraw/zinc/50/31/25/571503125.db2.gz XOENWSRKTLMFES-KDYSTLNUSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223569746 571504351 /nfs/dbraw/zinc/50/43/51/571504351.db2.gz GRDYWFNWVVYDJO-NRFANRHFSA-N 0 0 587.526 4.698 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223569807 571504384 /nfs/dbraw/zinc/50/43/84/571504384.db2.gz GRDYWFNWVVYDJO-OAQYLSRUSA-N 0 0 587.526 4.698 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223570127 571504637 /nfs/dbraw/zinc/50/46/37/571504637.db2.gz SEWBYLSBXFXPMS-JIPXPUAJSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223570187 571504582 /nfs/dbraw/zinc/50/45/82/571504582.db2.gz SEWBYLSBXFXPMS-KDYSTLNUSA-N 0 0 631.151 4.578 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223570587 571504660 /nfs/dbraw/zinc/50/46/60/571504660.db2.gz RZAAMHIIEIVQHH-HHHXNRCGSA-N 0 0 566.680 4.514 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223570645 571504683 /nfs/dbraw/zinc/50/46/83/571504683.db2.gz RZAAMHIIEIVQHH-MHZLTWQESA-N 0 0 566.680 4.514 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223570740 571504739 /nfs/dbraw/zinc/50/47/39/571504739.db2.gz IZDVIMDSLPVJEK-HHHXNRCGSA-N 0 0 566.680 4.514 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223570798 571504674 /nfs/dbraw/zinc/50/46/74/571504674.db2.gz IZDVIMDSLPVJEK-MHZLTWQESA-N 0 0 566.680 4.514 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223572965 571505245 /nfs/dbraw/zinc/50/52/45/571505245.db2.gz OKAAWZYCWLYCGA-OAQYLSRUSA-N 0 0 617.124 4.622 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223573019 571505351 /nfs/dbraw/zinc/50/53/51/571505351.db2.gz OKAAWZYCWLYCGA-NRFANRHFSA-N 0 0 617.124 4.622 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223573628 571505431 /nfs/dbraw/zinc/50/54/31/571505431.db2.gz ZIHSFJJQZKXPED-SKCUWOTOSA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223573679 571505451 /nfs/dbraw/zinc/50/54/51/571505451.db2.gz ZIHSFJJQZKXPED-RBISFHTESA-N 0 0 615.152 4.877 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223582905 571507482 /nfs/dbraw/zinc/50/74/82/571507482.db2.gz OZBDYLDHSIAAPE-MUUNZHRXSA-N 0 0 610.733 4.831 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223582961 571507423 /nfs/dbraw/zinc/50/74/23/571507423.db2.gz OZBDYLDHSIAAPE-NDEPHWFRSA-N 0 0 610.733 4.831 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223585889 571508028 /nfs/dbraw/zinc/50/80/28/571508028.db2.gz MOFXVUVIIJHMTB-XMMPIXPASA-N 0 0 570.440 4.521 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223585949 571507990 /nfs/dbraw/zinc/50/79/90/571507990.db2.gz MOFXVUVIIJHMTB-DEOSSOPVSA-N 0 0 570.440 4.521 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223593527 571509647 /nfs/dbraw/zinc/50/96/47/571509647.db2.gz MOTNBAUFWYBPBX-MHZLTWQESA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223593575 571509630 /nfs/dbraw/zinc/50/96/30/571509630.db2.gz MOTNBAUFWYBPBX-HHHXNRCGSA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@@H](C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223593607 571509680 /nfs/dbraw/zinc/50/96/80/571509680.db2.gz HQZHOGRWXFVVDD-RTWAWAEBSA-N 0 0 503.621 4.647 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223593651 571509729 /nfs/dbraw/zinc/50/97/29/571509729.db2.gz ISHOYCCGGHDZFL-MHZLTWQESA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@H](C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223593671 571509633 /nfs/dbraw/zinc/50/96/33/571509633.db2.gz HQZHOGRWXFVVDD-NHCUHLMSSA-N 0 0 503.621 4.647 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223593707 571509623 /nfs/dbraw/zinc/50/96/23/571509623.db2.gz ISHOYCCGGHDZFL-HHHXNRCGSA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223605142 571512204 /nfs/dbraw/zinc/51/22/04/571512204.db2.gz OZOSZQNITGCDIK-NDEPHWFRSA-N 0 0 640.759 4.838 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223605197 571512183 /nfs/dbraw/zinc/51/21/83/571512183.db2.gz OZOSZQNITGCDIK-MUUNZHRXSA-N 0 0 640.759 4.838 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223616914 571514823 /nfs/dbraw/zinc/51/48/23/571514823.db2.gz LGYROXSGXSUSSC-OAQYLSRUSA-N 0 0 617.124 4.622 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223616963 571514816 /nfs/dbraw/zinc/51/48/16/571514816.db2.gz PNQFRZFIYNFBLQ-MUUNZHRXSA-N 0 0 580.707 4.822 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223616972 571514818 /nfs/dbraw/zinc/51/48/18/571514818.db2.gz LGYROXSGXSUSSC-NRFANRHFSA-N 0 0 617.124 4.622 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223617023 571514819 /nfs/dbraw/zinc/51/48/19/571514819.db2.gz PNQFRZFIYNFBLQ-NDEPHWFRSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223617100 571514832 /nfs/dbraw/zinc/51/48/32/571514832.db2.gz FIZUDMTYFXGXHR-MUUNZHRXSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223617158 571514826 /nfs/dbraw/zinc/51/48/26/571514826.db2.gz FIZUDMTYFXGXHR-NDEPHWFRSA-N 0 0 580.707 4.822 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223621697 571515664 /nfs/dbraw/zinc/51/56/64/571515664.db2.gz PGWRNYHKIBAQOG-JIPXPUAJSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223621760 571515715 /nfs/dbraw/zinc/51/57/15/571515715.db2.gz PGWRNYHKIBAQOG-KDYSTLNUSA-N 0 0 601.125 4.569 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223622605 571515830 /nfs/dbraw/zinc/51/58/30/571515830.db2.gz SVUCLEDEOJRHRV-AREMUKBSSA-N 0 0 621.543 4.752 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223622664 571515864 /nfs/dbraw/zinc/51/58/64/571515864.db2.gz SVUCLEDEOJRHRV-SANMLTNESA-N 0 0 621.543 4.752 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223625510 571516349 /nfs/dbraw/zinc/51/63/49/571516349.db2.gz XRVMVUJXZIRPBV-JIPXPUAJSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223625566 571516282 /nfs/dbraw/zinc/51/62/82/571516282.db2.gz XRVMVUJXZIRPBV-KDYSTLNUSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223629006 571516771 /nfs/dbraw/zinc/51/67/71/571516771.db2.gz UCQSYVRDUWJZNL-SKCUWOTOSA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223629067 571516870 /nfs/dbraw/zinc/51/68/70/571516870.db2.gz UCQSYVRDUWJZNL-RBISFHTESA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223637948 571518394 /nfs/dbraw/zinc/51/83/94/571518394.db2.gz LTCLFCIWOZRSCZ-MHZLTWQESA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223638007 571518400 /nfs/dbraw/zinc/51/84/00/571518400.db2.gz LTCLFCIWOZRSCZ-HHHXNRCGSA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223638097 571518380 /nfs/dbraw/zinc/51/83/80/571518380.db2.gz BBGYCVWFRQOPDA-MHZLTWQESA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223638164 571518424 /nfs/dbraw/zinc/51/84/24/571518424.db2.gz BBGYCVWFRQOPDA-HHHXNRCGSA-N 0 0 596.706 4.521 40 5 KJBBRN COc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223647310 571520078 /nfs/dbraw/zinc/52/00/78/571520078.db2.gz HCGCCBOJGUMEOI-UHFFFAOYSA-N 0 0 555.653 4.600 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223649397 571520542 /nfs/dbraw/zinc/52/05/42/571520542.db2.gz TVUPSRHGEBUHRW-NDEPHWFRSA-N 0 0 640.759 4.838 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223649463 571520523 /nfs/dbraw/zinc/52/05/23/571520523.db2.gz TVUPSRHGEBUHRW-MUUNZHRXSA-N 0 0 640.759 4.838 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223661668 571522522 /nfs/dbraw/zinc/52/25/22/571522522.db2.gz RVMSAJRQPDNLMC-OAQYLSRUSA-N 0 0 617.124 4.622 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223661729 571522540 /nfs/dbraw/zinc/52/25/40/571522540.db2.gz RVMSAJRQPDNLMC-NRFANRHFSA-N 0 0 617.124 4.622 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223663775 571522824 /nfs/dbraw/zinc/52/28/24/571522824.db2.gz PKLIAVMPWBRKSE-MUUNZHRXSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223663841 571522803 /nfs/dbraw/zinc/52/28/03/571522803.db2.gz PKLIAVMPWBRKSE-NDEPHWFRSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223663921 571522855 /nfs/dbraw/zinc/52/28/55/571522855.db2.gz GGIOLMFKDDQMND-MUUNZHRXSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223663979 571522838 /nfs/dbraw/zinc/52/28/38/571522838.db2.gz GGIOLMFKDDQMND-NDEPHWFRSA-N 0 0 580.707 4.822 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223668907 571523765 /nfs/dbraw/zinc/52/37/65/571523765.db2.gz SVJQYLRCENLDLN-AREMUKBSSA-N 0 0 621.543 4.752 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223668968 571523771 /nfs/dbraw/zinc/52/37/71/571523771.db2.gz SVJQYLRCENLDLN-SANMLTNESA-N 0 0 621.543 4.752 40 5 KJBBRN COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223681595 571525852 /nfs/dbraw/zinc/52/58/52/571525852.db2.gz MOARNKPQDCDFJJ-UHFFFAOYSA-N 0 0 555.653 4.600 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223682934 571526194 /nfs/dbraw/zinc/52/61/94/571526194.db2.gz YDYYQAWWJMIPKB-MHZLTWQESA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223683000 571526227 /nfs/dbraw/zinc/52/62/27/571526227.db2.gz YDYYQAWWJMIPKB-HHHXNRCGSA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223683089 571526119 /nfs/dbraw/zinc/52/61/19/571526119.db2.gz DELKHEMPUCXNOD-MHZLTWQESA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223683133 571526202 /nfs/dbraw/zinc/52/62/02/571526202.db2.gz DELKHEMPUCXNOD-HHHXNRCGSA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223694534 571528558 /nfs/dbraw/zinc/52/85/58/571528558.db2.gz WDPHZDKPCSKAID-NDEPHWFRSA-N 0 0 624.760 4.872 40 5 KJBBRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223694600 571528546 /nfs/dbraw/zinc/52/85/46/571528546.db2.gz WDPHZDKPCSKAID-MUUNZHRXSA-N 0 0 624.760 4.872 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223699656 571529336 /nfs/dbraw/zinc/52/93/36/571529336.db2.gz DGASBTOLPSRXCJ-FQRUVTKNSA-N 0 0 537.588 4.676 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223699714 571529354 /nfs/dbraw/zinc/52/93/54/571529354.db2.gz DGASBTOLPSRXCJ-RXFWQSSRSA-N 0 0 537.588 4.676 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223699770 571529369 /nfs/dbraw/zinc/52/93/69/571529369.db2.gz DGASBTOLPSRXCJ-IBVKSMDESA-N 0 0 537.588 4.676 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223699829 571529349 /nfs/dbraw/zinc/52/93/49/571529349.db2.gz DGASBTOLPSRXCJ-FNZWTVRRSA-N 0 0 537.588 4.676 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223706860 571530366 /nfs/dbraw/zinc/53/03/66/571530366.db2.gz XOYCTSHOBSYESB-LJQANCHMSA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223706910 571530359 /nfs/dbraw/zinc/53/03/59/571530359.db2.gz XOYCTSHOBSYESB-IBGZPJMESA-N 0 0 637.542 4.967 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223710650 571530966 /nfs/dbraw/zinc/53/09/66/571530966.db2.gz FMIPYJZQOZGLRV-MUUNZHRXSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223710704 571530944 /nfs/dbraw/zinc/53/09/44/571530944.db2.gz FMIPYJZQOZGLRV-NDEPHWFRSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223710793 571530896 /nfs/dbraw/zinc/53/08/96/571530896.db2.gz CYLGCEQCQHYAFI-MUUNZHRXSA-N 0 0 580.707 4.822 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223710848 571530962 /nfs/dbraw/zinc/53/09/62/571530962.db2.gz CYLGCEQCQHYAFI-NDEPHWFRSA-N 0 0 580.707 4.822 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223714853 571531646 /nfs/dbraw/zinc/53/16/46/571531646.db2.gz DKRFCMGGEQGCFV-AREMUKBSSA-N 0 0 621.543 4.752 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223714922 571531608 /nfs/dbraw/zinc/53/16/08/571531608.db2.gz DKRFCMGGEQGCFV-SANMLTNESA-N 0 0 621.543 4.752 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223733636 571534838 /nfs/dbraw/zinc/53/48/38/571534838.db2.gz HCGQIEBYIOSPQN-AREMUKBSSA-N 0 0 521.639 4.613 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223733687 571534808 /nfs/dbraw/zinc/53/48/08/571534808.db2.gz HCGQIEBYIOSPQN-SANMLTNESA-N 0 0 521.639 4.613 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223734845 571535106 /nfs/dbraw/zinc/53/51/06/571535106.db2.gz HEUCEPOOHVARHD-QHCPKHFHSA-N 0 0 608.717 4.583 40 5 KJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223737407 571535747 /nfs/dbraw/zinc/53/57/47/571535747.db2.gz APJGQKBVFVIRMD-UHFFFAOYSA-N 0 0 529.987 4.601 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223739508 571536201 /nfs/dbraw/zinc/53/62/01/571536201.db2.gz NYVMDZZNXWBMCS-WJOKGBTCSA-N 0 0 630.723 4.575 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223739562 571536161 /nfs/dbraw/zinc/53/61/61/571536161.db2.gz NYVMDZZNXWBMCS-HKBQPEDESA-N 0 0 630.723 4.575 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223739638 571536166 /nfs/dbraw/zinc/53/61/66/571536166.db2.gz FIJBXEQJBWFSQC-WJOKGBTCSA-N 0 0 630.723 4.575 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223739693 571536122 /nfs/dbraw/zinc/53/61/22/571536122.db2.gz FIJBXEQJBWFSQC-HKBQPEDESA-N 0 0 630.723 4.575 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223749697 571537634 /nfs/dbraw/zinc/53/76/34/571537634.db2.gz ZYSZBVOTLRLKKQ-LJQANCHMSA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223749753 571537696 /nfs/dbraw/zinc/53/76/96/571537696.db2.gz ZYSZBVOTLRLKKQ-IBGZPJMESA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223751461 571537983 /nfs/dbraw/zinc/53/79/83/571537983.db2.gz VFKZAHMJLAFECY-MGBGTMOVSA-N 0 0 674.776 4.892 40 5 KJBBRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223751522 571537975 /nfs/dbraw/zinc/53/79/75/571537975.db2.gz VFKZAHMJLAFECY-XIFFEERXSA-N 0 0 674.776 4.892 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223754205 571538536 /nfs/dbraw/zinc/53/85/36/571538536.db2.gz DGBYIRCZSOISOX-FQRUVTKNSA-N 0 0 537.588 4.676 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223754252 571538581 /nfs/dbraw/zinc/53/85/81/571538581.db2.gz DGBYIRCZSOISOX-RXFWQSSRSA-N 0 0 537.588 4.676 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223754305 571538575 /nfs/dbraw/zinc/53/85/75/571538575.db2.gz DGBYIRCZSOISOX-IBVKSMDESA-N 0 0 537.588 4.676 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000223754367 571538511 /nfs/dbraw/zinc/53/85/11/571538511.db2.gz DGBYIRCZSOISOX-FNZWTVRRSA-N 0 0 537.588 4.676 40 5 KJBBRN Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223764079 571540255 /nfs/dbraw/zinc/54/02/55/571540255.db2.gz YZAILKMEKOHJHR-QHCPKHFHSA-N 0 0 578.691 4.575 40 5 KJBBRN Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223764172 571540293 /nfs/dbraw/zinc/54/02/93/571540293.db2.gz NCWKAJPNSJYROJ-QHCPKHFHSA-N 0 0 578.691 4.575 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223771506 571541429 /nfs/dbraw/zinc/54/14/29/571541429.db2.gz GJRLLKFVBDMGFN-DEOSSOPVSA-N 0 0 622.744 4.892 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223789098 571544307 /nfs/dbraw/zinc/54/43/07/571544307.db2.gz LVAUFIZTQWMKIQ-JIPXPUAJSA-N 0 0 645.576 4.678 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223789150 571544303 /nfs/dbraw/zinc/54/43/03/571544303.db2.gz LVAUFIZTQWMKIQ-KDYSTLNUSA-N 0 0 645.576 4.678 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223793043 571544960 /nfs/dbraw/zinc/54/49/60/571544960.db2.gz HEMINTSDUHUXIB-JIPXPUAJSA-N 0 0 675.602 4.687 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223793100 571544897 /nfs/dbraw/zinc/54/48/97/571544897.db2.gz HEMINTSDUHUXIB-KDYSTLNUSA-N 0 0 675.602 4.687 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223796331 571545543 /nfs/dbraw/zinc/54/55/43/571545543.db2.gz REJOKSJSXRUOPJ-SKCUWOTOSA-N 0 0 659.603 4.987 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223796382 571545541 /nfs/dbraw/zinc/54/55/41/571545541.db2.gz REJOKSJSXRUOPJ-RBISFHTESA-N 0 0 659.603 4.987 40 5 KJBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223798287 571546062 /nfs/dbraw/zinc/54/60/62/571546062.db2.gz JPYQEQZLEVFTID-QHCPKHFHSA-N 0 0 578.691 4.575 40 5 KJBBRN Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223798372 571546021 /nfs/dbraw/zinc/54/60/21/571546021.db2.gz CIHWOZRBSDPJTF-QHCPKHFHSA-N 0 0 578.691 4.575 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223798382 571546047 /nfs/dbraw/zinc/54/60/47/571546047.db2.gz CQQLBULDWOGFSW-OAQYLSRUSA-N 0 0 617.124 4.704 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223798445 571546069 /nfs/dbraw/zinc/54/60/69/571546069.db2.gz CQQLBULDWOGFSW-NRFANRHFSA-N 0 0 617.124 4.704 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223803979 571547934 /nfs/dbraw/zinc/54/79/34/571547934.db2.gz RFACNACCMFPNFY-DEOSSOPVSA-N 0 0 622.744 4.892 40 5 KJBBRN Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808871 571550420 /nfs/dbraw/zinc/55/04/20/571550420.db2.gz YZVYGZOIEDIQJO-QHCPKHFHSA-N 0 0 578.691 4.575 40 5 KJBBRN Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808890 571550435 /nfs/dbraw/zinc/55/04/35/571550435.db2.gz QQJCQNPFZFXNHM-QHCPKHFHSA-N 0 0 578.691 4.575 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223808958 571550576 /nfs/dbraw/zinc/55/05/76/571550576.db2.gz PQSIKOCJFRXURJ-JIPXPUAJSA-N 0 0 645.576 4.678 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000223808973 571550586 /nfs/dbraw/zinc/55/05/86/571550586.db2.gz PQSIKOCJFRXURJ-KDYSTLNUSA-N 0 0 645.576 4.678 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223809720 571550825 /nfs/dbraw/zinc/55/08/25/571550825.db2.gz XQMOAIPRZISSFY-JIPXPUAJSA-N 0 0 675.602 4.687 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000223809733 571550721 /nfs/dbraw/zinc/55/07/21/571550721.db2.gz XQMOAIPRZISSFY-KDYSTLNUSA-N 0 0 675.602 4.687 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223810358 571551156 /nfs/dbraw/zinc/55/11/56/571551156.db2.gz QVVLTBJHULYXSV-SKCUWOTOSA-N 0 0 659.603 4.987 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223810363 571551150 /nfs/dbraw/zinc/55/11/50/571551150.db2.gz TVLAZLDUZJUVSN-DEOSSOPVSA-N 0 0 622.744 4.892 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223810372 571551184 /nfs/dbraw/zinc/55/11/84/571551184.db2.gz QVVLTBJHULYXSV-RBISFHTESA-N 0 0 659.603 4.987 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223810701 571551373 /nfs/dbraw/zinc/55/13/73/571551373.db2.gz IWSHOLFKKOBTOK-HHHXNRCGSA-N 0 0 584.670 4.653 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223810711 571551421 /nfs/dbraw/zinc/55/14/21/571551421.db2.gz IWSHOLFKKOBTOK-MHZLTWQESA-N 0 0 584.670 4.653 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223810728 571551457 /nfs/dbraw/zinc/55/14/57/571551457.db2.gz VZHNRWOGTRZFPQ-HHHXNRCGSA-N 0 0 584.670 4.653 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223810737 571551450 /nfs/dbraw/zinc/55/14/50/571551450.db2.gz VZHNRWOGTRZFPQ-MHZLTWQESA-N 0 0 584.670 4.653 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223812976 571552607 /nfs/dbraw/zinc/55/26/07/571552607.db2.gz MCFNUJRKPPAPOM-MUUNZHRXSA-N 0 0 628.723 4.970 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223812988 571552578 /nfs/dbraw/zinc/55/25/78/571552578.db2.gz MCFNUJRKPPAPOM-NDEPHWFRSA-N 0 0 628.723 4.970 40 5 KJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223815911 571553793 /nfs/dbraw/zinc/55/37/93/571553793.db2.gz JGBLMUUZFNJJCY-NRFANRHFSA-N 0 0 599.109 4.920 40 5 KJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223815920 571553824 /nfs/dbraw/zinc/55/38/24/571553824.db2.gz JGBLMUUZFNJJCY-OAQYLSRUSA-N 0 0 599.109 4.920 40 5 KJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223815941 571553815 /nfs/dbraw/zinc/55/38/15/571553815.db2.gz XIUXVFKKXOAUJZ-NRFANRHFSA-N 0 0 599.109 4.920 40 5 KJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223815953 571553800 /nfs/dbraw/zinc/55/38/00/571553800.db2.gz XIUXVFKKXOAUJZ-OAQYLSRUSA-N 0 0 599.109 4.920 40 5 KJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223836980 571559033 /nfs/dbraw/zinc/55/90/33/571559033.db2.gz DDMQLMUWZGXRPC-NRFANRHFSA-N 0 0 599.109 4.920 40 5 KJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223837046 571559172 /nfs/dbraw/zinc/55/91/72/571559172.db2.gz DDMQLMUWZGXRPC-OAQYLSRUSA-N 0 0 599.109 4.920 40 5 KJBBRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223837138 571559154 /nfs/dbraw/zinc/55/91/54/571559154.db2.gz OGELFPSFOWJPEM-NRFANRHFSA-N 0 0 599.109 4.920 40 5 KJBBRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223837196 571559265 /nfs/dbraw/zinc/55/92/65/571559265.db2.gz OGELFPSFOWJPEM-OAQYLSRUSA-N 0 0 599.109 4.920 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223839365 571559590 /nfs/dbraw/zinc/55/95/90/571559590.db2.gz QLHXSNKRCVRZFJ-JOCHJYFZSA-N 0 0 587.526 4.700 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223839431 571559534 /nfs/dbraw/zinc/55/95/34/571559534.db2.gz QLHXSNKRCVRZFJ-QFIPXVFZSA-N 0 0 587.526 4.700 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223841929 571559971 /nfs/dbraw/zinc/55/99/71/571559971.db2.gz WJDPNPCCWBIOKY-GOSISDBHSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223841978 571559959 /nfs/dbraw/zinc/55/99/59/571559959.db2.gz WJDPNPCCWBIOKY-SFHVURJKSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223842059 571560105 /nfs/dbraw/zinc/56/01/05/571560105.db2.gz MWMUBOHRLNBXAZ-GOSISDBHSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223842121 571560135 /nfs/dbraw/zinc/56/01/35/571560135.db2.gz MWMUBOHRLNBXAZ-SFHVURJKSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223853468 571561981 /nfs/dbraw/zinc/56/19/81/571561981.db2.gz ZYNIJOAGBQWFDB-LJQANCHMSA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223853519 571562047 /nfs/dbraw/zinc/56/20/47/571562047.db2.gz ZYNIJOAGBQWFDB-IBGZPJMESA-N 0 0 637.542 4.967 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223867118 571564459 /nfs/dbraw/zinc/56/44/59/571564459.db2.gz NVCYBPPECBLCNT-HXUWFJFHSA-N 0 0 635.114 4.843 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223867179 571564507 /nfs/dbraw/zinc/56/45/07/571564507.db2.gz NVCYBPPECBLCNT-FQEVSTJZSA-N 0 0 635.114 4.843 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000223881453 571567231 /nfs/dbraw/zinc/56/72/31/571567231.db2.gz HHBYFDSVFMYMDC-QFIPXVFZSA-N 0 0 626.707 4.722 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223884187 571567890 /nfs/dbraw/zinc/56/78/90/571567890.db2.gz PEXAKOJWCHWRPH-JOCHJYFZSA-N 0 0 587.526 4.700 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223884250 571567824 /nfs/dbraw/zinc/56/78/24/571567824.db2.gz PEXAKOJWCHWRPH-QFIPXVFZSA-N 0 0 587.526 4.700 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223885574 571568174 /nfs/dbraw/zinc/56/81/74/571568174.db2.gz BYNOLRSSYDHGJI-GOSISDBHSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223885620 571568140 /nfs/dbraw/zinc/56/81/40/571568140.db2.gz BYNOLRSSYDHGJI-SFHVURJKSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223885702 571568198 /nfs/dbraw/zinc/56/81/98/571568198.db2.gz XQMRPBQNVDQRCH-GOSISDBHSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223885762 571568228 /nfs/dbraw/zinc/56/82/28/571568228.db2.gz XQMRPBQNVDQRCH-SFHVURJKSA-N 0 0 593.489 4.650 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223890367 571569070 /nfs/dbraw/zinc/56/90/70/571569070.db2.gz SUGDTULCIPHDQG-MRXNPFEDSA-N 0 0 508.438 4.534 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223890417 571569085 /nfs/dbraw/zinc/56/90/85/571569085.db2.gz SUGDTULCIPHDQG-INIZCTEOSA-N 0 0 508.438 4.534 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223896861 571570351 /nfs/dbraw/zinc/57/03/51/571570351.db2.gz PSDOVPYKRMVPNQ-LJQANCHMSA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223896916 571570310 /nfs/dbraw/zinc/57/03/10/571570310.db2.gz PSDOVPYKRMVPNQ-IBGZPJMESA-N 0 0 637.542 4.967 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223907753 571572640 /nfs/dbraw/zinc/57/26/40/571572640.db2.gz UKJZUEOLOOQNQI-OAQYLSRUSA-N 0 0 661.575 4.813 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223907809 571572684 /nfs/dbraw/zinc/57/26/84/571572684.db2.gz UKJZUEOLOOQNQI-NRFANRHFSA-N 0 0 661.575 4.813 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223928957 571577310 /nfs/dbraw/zinc/57/73/10/571577310.db2.gz BWSYFWAGPWTTFQ-GOSISDBHSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223929009 571577380 /nfs/dbraw/zinc/57/73/80/571577380.db2.gz BWSYFWAGPWTTFQ-SFHVURJKSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223929077 571577363 /nfs/dbraw/zinc/57/73/63/571577363.db2.gz JQPBYZZTSYICLJ-GOSISDBHSA-N 0 0 593.489 4.650 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223929135 571577391 /nfs/dbraw/zinc/57/73/91/571577391.db2.gz JQPBYZZTSYICLJ-SFHVURJKSA-N 0 0 593.489 4.650 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223929193 571577343 /nfs/dbraw/zinc/57/73/43/571577343.db2.gz XXUCDVITUVJZKB-JOCHJYFZSA-N 0 0 587.526 4.700 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000223929249 571577353 /nfs/dbraw/zinc/57/73/53/571577353.db2.gz XXUCDVITUVJZKB-QFIPXVFZSA-N 0 0 587.526 4.700 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223934218 571578439 /nfs/dbraw/zinc/57/84/39/571578439.db2.gz RAWIZKQZKHESDI-HNNXBMFYSA-N 0 0 524.401 4.765 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223934263 571578378 /nfs/dbraw/zinc/57/83/78/571578378.db2.gz RAWIZKQZKHESDI-OAHLLOKOSA-N 0 0 524.401 4.765 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223934662 571578464 /nfs/dbraw/zinc/57/84/64/571578464.db2.gz IHBHIPJLCYHMDU-MRXNPFEDSA-N 0 0 508.438 4.534 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223934714 571578475 /nfs/dbraw/zinc/57/84/75/571578475.db2.gz IHBHIPJLCYHMDU-INIZCTEOSA-N 0 0 508.438 4.534 40 5 KJBBRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223941083 571579908 /nfs/dbraw/zinc/57/99/08/571579908.db2.gz OHVZGLNVXRWNPO-LJQANCHMSA-N 0 0 637.542 4.967 40 5 KJBBRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223941130 571579962 /nfs/dbraw/zinc/57/99/62/571579962.db2.gz OHVZGLNVXRWNPO-IBGZPJMESA-N 0 0 637.542 4.967 40 5 KJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223946296 571580998 /nfs/dbraw/zinc/58/09/98/571580998.db2.gz KRBMYGUKIJOQGE-KAYWLYCHSA-N 0 0 526.622 4.794 40 5 KJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223946351 571580886 /nfs/dbraw/zinc/58/08/86/571580886.db2.gz KRBMYGUKIJOQGE-SXOMAYOGSA-N 0 0 526.622 4.794 40 5 KJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223946406 571580891 /nfs/dbraw/zinc/58/08/91/571580891.db2.gz KRBMYGUKIJOQGE-RRPNLBNLSA-N 0 0 526.622 4.794 40 5 KJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223946463 571581127 /nfs/dbraw/zinc/58/11/27/571581127.db2.gz KRBMYGUKIJOQGE-SVBPBHIXSA-N 0 0 526.622 4.794 40 5 KJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223946536 571581052 /nfs/dbraw/zinc/58/10/52/571581052.db2.gz RATNCWFJXKYEKN-KAYWLYCHSA-N 0 0 526.622 4.794 40 5 KJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223946583 571581067 /nfs/dbraw/zinc/58/10/67/571581067.db2.gz RATNCWFJXKYEKN-SXOMAYOGSA-N 0 0 526.622 4.794 40 5 KJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223946643 571581106 /nfs/dbraw/zinc/58/11/06/571581106.db2.gz RATNCWFJXKYEKN-RRPNLBNLSA-N 0 0 526.622 4.794 40 5 KJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223946702 571581055 /nfs/dbraw/zinc/58/10/55/571581055.db2.gz RATNCWFJXKYEKN-SVBPBHIXSA-N 0 0 526.622 4.794 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223952504 571582567 /nfs/dbraw/zinc/58/25/67/571582567.db2.gz JLMOLJZGXVJNTJ-OAQYLSRUSA-N 0 0 661.575 4.813 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223952558 571582570 /nfs/dbraw/zinc/58/25/70/571582570.db2.gz JLMOLJZGXVJNTJ-NRFANRHFSA-N 0 0 661.575 4.813 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223953360 571582603 /nfs/dbraw/zinc/58/26/03/571582603.db2.gz SQCDJDALQXJKHY-MUUNZHRXSA-N 0 0 596.706 4.522 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223953409 571582634 /nfs/dbraw/zinc/58/26/34/571582634.db2.gz SQCDJDALQXJKHY-NDEPHWFRSA-N 0 0 596.706 4.522 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223953490 571582690 /nfs/dbraw/zinc/58/26/90/571582690.db2.gz JBPQRBIVFMQIMX-MUUNZHRXSA-N 0 0 596.706 4.522 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223953543 571582660 /nfs/dbraw/zinc/58/26/60/571582660.db2.gz JBPQRBIVFMQIMX-NDEPHWFRSA-N 0 0 596.706 4.522 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223964873 571584951 /nfs/dbraw/zinc/58/49/51/571584951.db2.gz LYFURLUSLMKFQI-GDLZYMKVSA-N 0 0 640.759 4.839 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223964922 571584926 /nfs/dbraw/zinc/58/49/26/571584926.db2.gz LYFURLUSLMKFQI-LJAQVGFWSA-N 0 0 640.759 4.839 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223969006 571585742 /nfs/dbraw/zinc/58/57/42/571585742.db2.gz NMWABJGMWBBQGZ-JIPXPUAJSA-N 0 0 503.599 4.701 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223969077 571585753 /nfs/dbraw/zinc/58/57/53/571585753.db2.gz NMWABJGMWBBQGZ-KDYSTLNUSA-N 0 0 503.599 4.701 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223969128 571585689 /nfs/dbraw/zinc/58/56/89/571585689.db2.gz NMWABJGMWBBQGZ-ZBLYBZFDSA-N 0 0 503.599 4.701 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223969182 571585747 /nfs/dbraw/zinc/58/57/47/571585747.db2.gz NMWABJGMWBBQGZ-IDISGSTGSA-N 0 0 503.599 4.701 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223971410 571586160 /nfs/dbraw/zinc/58/61/60/571586160.db2.gz WXOVFGYOZGBXGO-HNNXBMFYSA-N 0 0 524.401 4.765 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000223971464 571586216 /nfs/dbraw/zinc/58/62/16/571586216.db2.gz WXOVFGYOZGBXGO-OAHLLOKOSA-N 0 0 524.401 4.765 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223979463 571587929 /nfs/dbraw/zinc/58/79/29/571587929.db2.gz MBXCWDRNZWGMMZ-AREMUKBSSA-N 0 0 505.640 4.994 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223979508 571587864 /nfs/dbraw/zinc/58/78/64/571587864.db2.gz MBXCWDRNZWGMMZ-SANMLTNESA-N 0 0 505.640 4.994 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223986077 571589509 /nfs/dbraw/zinc/58/95/09/571589509.db2.gz GZFRVYNXBSZXPP-WJOKGBTCSA-N 0 0 614.724 4.956 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223986137 571589488 /nfs/dbraw/zinc/58/94/88/571589488.db2.gz GZFRVYNXBSZXPP-HKBQPEDESA-N 0 0 614.724 4.956 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223986217 571589457 /nfs/dbraw/zinc/58/94/57/571589457.db2.gz HXYASSXNQSLFIY-WJOKGBTCSA-N 0 0 614.724 4.956 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223986269 571589406 /nfs/dbraw/zinc/58/94/06/571589406.db2.gz HXYASSXNQSLFIY-HKBQPEDESA-N 0 0 614.724 4.956 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223997319 571592186 /nfs/dbraw/zinc/59/21/86/571592186.db2.gz KNKUQBGEYNQKBQ-MUUNZHRXSA-N 0 0 596.706 4.522 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000223997374 571592109 /nfs/dbraw/zinc/59/21/09/571592109.db2.gz KNKUQBGEYNQKBQ-NDEPHWFRSA-N 0 0 596.706 4.522 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223997447 571592193 /nfs/dbraw/zinc/59/21/93/571592193.db2.gz SPQBEBPWACYDRD-MUUNZHRXSA-N 0 0 596.706 4.522 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000223997510 571592171 /nfs/dbraw/zinc/59/21/71/571592171.db2.gz SPQBEBPWACYDRD-NDEPHWFRSA-N 0 0 596.706 4.522 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224007059 571594137 /nfs/dbraw/zinc/59/41/37/571594137.db2.gz LEZVBIBRQLYCNL-JIPXPUAJSA-N 0 0 549.624 4.546 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224007102 571594228 /nfs/dbraw/zinc/59/42/28/571594228.db2.gz LEZVBIBRQLYCNL-KDYSTLNUSA-N 0 0 549.624 4.546 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224007151 571594256 /nfs/dbraw/zinc/59/42/56/571594256.db2.gz LEZVBIBRQLYCNL-ZBLYBZFDSA-N 0 0 549.624 4.546 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224007202 571594176 /nfs/dbraw/zinc/59/41/76/571594176.db2.gz LEZVBIBRQLYCNL-IDISGSTGSA-N 0 0 549.624 4.546 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224008336 571594397 /nfs/dbraw/zinc/59/43/97/571594397.db2.gz XMQJIDBRSAVSHU-HNNXBMFYSA-N 0 0 524.401 4.765 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224008383 571594395 /nfs/dbraw/zinc/59/43/95/571594395.db2.gz XMQJIDBRSAVSHU-OAHLLOKOSA-N 0 0 524.401 4.765 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224008399 571594348 /nfs/dbraw/zinc/59/43/48/571594348.db2.gz GYUTUHRPIWKOTN-GDLZYMKVSA-N 0 0 640.759 4.839 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224008448 571594409 /nfs/dbraw/zinc/59/44/09/571594409.db2.gz GYUTUHRPIWKOTN-LJAQVGFWSA-N 0 0 640.759 4.839 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224023746 571597074 /nfs/dbraw/zinc/59/70/74/571597074.db2.gz YYLSQZJBRNEIGL-FQEVSTJZSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224023798 571597079 /nfs/dbraw/zinc/59/70/79/571597079.db2.gz YYLSQZJBRNEIGL-HXUWFJFHSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224023875 571597083 /nfs/dbraw/zinc/59/70/83/571597083.db2.gz DKEYXVDCJRIZEV-FQEVSTJZSA-N 0 0 587.098 4.776 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224023917 571597081 /nfs/dbraw/zinc/59/70/81/571597081.db2.gz DKEYXVDCJRIZEV-HXUWFJFHSA-N 0 0 587.098 4.776 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224027278 571597872 /nfs/dbraw/zinc/59/78/72/571597872.db2.gz WTDIYRIVNFZZNV-QHCPKHFHSA-N 0 0 638.743 4.592 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224039831 571600289 /nfs/dbraw/zinc/60/02/89/571600289.db2.gz FQSVIFDEACOCQO-MUUNZHRXSA-N 0 0 580.707 4.556 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224039889 571600213 /nfs/dbraw/zinc/60/02/13/571600213.db2.gz FQSVIFDEACOCQO-NDEPHWFRSA-N 0 0 580.707 4.556 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224039970 571600211 /nfs/dbraw/zinc/60/02/11/571600211.db2.gz APIUJRRYFUJILA-MUUNZHRXSA-N 0 0 580.707 4.556 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224040014 571600207 /nfs/dbraw/zinc/60/02/07/571600207.db2.gz APIUJRRYFUJILA-NDEPHWFRSA-N 0 0 580.707 4.556 40 5 KJBBRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224051557 571602344 /nfs/dbraw/zinc/60/23/44/571602344.db2.gz PQCRTAQFZQYIAY-GDLZYMKVSA-N 0 0 624.760 4.873 40 5 KJBBRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224051615 571602372 /nfs/dbraw/zinc/60/23/72/571602372.db2.gz PQCRTAQFZQYIAY-LJAQVGFWSA-N 0 0 624.760 4.873 40 5 KJBBRN COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224058973 571604072 /nfs/dbraw/zinc/60/40/72/571604072.db2.gz WFGCVGVRRHJPAS-QHCPKHFHSA-N 0 0 638.743 4.592 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224067346 571605714 /nfs/dbraw/zinc/60/57/14/571605714.db2.gz DEQIXCLICIEJET-NRFANRHFSA-N 0 0 614.696 4.578 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224089628 571608382 /nfs/dbraw/zinc/60/83/82/571608382.db2.gz UNGDPJXSACXNIX-INIZCTEOSA-N 0 0 522.465 4.923 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224089685 571608398 /nfs/dbraw/zinc/60/83/98/571608398.db2.gz UNGDPJXSACXNIX-MRXNPFEDSA-N 0 0 522.465 4.923 40 5 KJBBRN COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224091600 571608702 /nfs/dbraw/zinc/60/87/02/571608702.db2.gz SVAURXVPIGIMBP-DEOSSOPVSA-N 0 0 622.744 4.626 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224092964 571608944 /nfs/dbraw/zinc/60/89/44/571608944.db2.gz ZOTYYLYIMPYKHW-QFIPXVFZSA-N 0 0 631.151 4.950 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224094156 571609003 /nfs/dbraw/zinc/60/90/03/571609003.db2.gz WXEPZKSSBMRROO-FQEVSTJZSA-N 0 0 631.549 4.885 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224094207 571609014 /nfs/dbraw/zinc/60/90/14/571609014.db2.gz WXEPZKSSBMRROO-HXUWFJFHSA-N 0 0 631.549 4.885 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224094283 571609018 /nfs/dbraw/zinc/60/90/18/571609018.db2.gz KVNVRRDIKMSUAT-FQEVSTJZSA-N 0 0 631.549 4.885 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224094345 571609134 /nfs/dbraw/zinc/60/91/34/571609134.db2.gz KVNVRRDIKMSUAT-HXUWFJFHSA-N 0 0 631.549 4.885 40 5 KJBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224115938 571611743 /nfs/dbraw/zinc/61/17/43/571611743.db2.gz AKDIIBOJOUOTIH-XMMPIXPASA-N 0 0 617.124 4.704 40 5 KJBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224115994 571611764 /nfs/dbraw/zinc/61/17/64/571611764.db2.gz AKDIIBOJOUOTIH-DEOSSOPVSA-N 0 0 617.124 4.704 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224120475 571480145 /nfs/dbraw/zinc/48/01/45/571480145.db2.gz YFKQHDFGKSXLSL-NDEPHWFRSA-N 0 0 578.691 4.656 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224120531 571480151 /nfs/dbraw/zinc/48/01/51/571480151.db2.gz YFKQHDFGKSXLSL-MUUNZHRXSA-N 0 0 578.691 4.656 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224120614 571480124 /nfs/dbraw/zinc/48/01/24/571480124.db2.gz ACGVZZONUGMRTD-NDEPHWFRSA-N 0 0 578.691 4.656 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224120672 571480122 /nfs/dbraw/zinc/48/01/22/571480122.db2.gz ACGVZZONUGMRTD-MUUNZHRXSA-N 0 0 578.691 4.656 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224124552 571481052 /nfs/dbraw/zinc/48/10/52/571481052.db2.gz RYQIYDCAHLCHGU-DEOSSOPVSA-N 0 0 610.733 4.605 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224124602 571480985 /nfs/dbraw/zinc/48/09/85/571480985.db2.gz XDURYIPSLOYHOL-INIZCTEOSA-N 0 0 522.465 4.923 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224124660 571481010 /nfs/dbraw/zinc/48/10/10/571481010.db2.gz XDURYIPSLOYHOL-MRXNPFEDSA-N 0 0 522.465 4.923 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224129105 571482222 /nfs/dbraw/zinc/48/22/22/571482222.db2.gz LUYYMGGKLXTMQH-FQEVSTJZSA-N 0 0 631.549 4.885 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224129165 571482186 /nfs/dbraw/zinc/48/21/86/571482186.db2.gz LUYYMGGKLXTMQH-HXUWFJFHSA-N 0 0 631.549 4.885 40 5 KJBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224129250 571482210 /nfs/dbraw/zinc/48/22/10/571482210.db2.gz SMHLZIZUVOSVHA-FQEVSTJZSA-N 0 0 631.549 4.885 40 5 KJBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224129312 571482149 /nfs/dbraw/zinc/48/21/49/571482149.db2.gz SMHLZIZUVOSVHA-HXUWFJFHSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224131669 571482813 /nfs/dbraw/zinc/48/28/13/571482813.db2.gz HOIFFDJZDSXBSF-LJAQVGFWSA-N 0 0 622.744 4.973 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224131740 571482841 /nfs/dbraw/zinc/48/28/41/571482841.db2.gz HOIFFDJZDSXBSF-GDLZYMKVSA-N 0 0 622.744 4.973 40 5 KJBBRN CCC1(CC)C[C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224155234 571487474 /nfs/dbraw/zinc/48/74/74/571487474.db2.gz MEEMIQBETLBVKR-XMMPIXPASA-N 0 0 523.611 4.989 40 5 KJBBRN CCC1(CC)C[C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224155290 571487494 /nfs/dbraw/zinc/48/74/94/571487494.db2.gz MEEMIQBETLBVKR-DEOSSOPVSA-N 0 0 523.611 4.989 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224156550 571487646 /nfs/dbraw/zinc/48/76/46/571487646.db2.gz KWQUSZKGWQPWDW-DEOSSOPVSA-N 0 0 610.733 4.605 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224163466 571488955 /nfs/dbraw/zinc/48/89/55/571488955.db2.gz MBQYLVWHOPLTMO-LJAQVGFWSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224163514 571488949 /nfs/dbraw/zinc/48/89/49/571488949.db2.gz MBQYLVWHOPLTMO-GDLZYMKVSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224163597 571488951 /nfs/dbraw/zinc/48/89/51/571488951.db2.gz JJHQACWNTKVFNG-LJAQVGFWSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224163659 571488968 /nfs/dbraw/zinc/48/89/68/571488968.db2.gz JJHQACWNTKVFNG-GDLZYMKVSA-N 0 0 592.718 4.965 40 5 KJBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224164576 571489107 /nfs/dbraw/zinc/48/91/07/571489107.db2.gz MKDOVJZTKNDNCY-UHFFFAOYSA-N 0 0 529.987 4.601 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224188120 571493103 /nfs/dbraw/zinc/49/31/03/571493103.db2.gz PIZGRUMNJIPVBS-VWLOTQADSA-N 0 0 519.598 4.537 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224188180 571493092 /nfs/dbraw/zinc/49/30/92/571493092.db2.gz PIZGRUMNJIPVBS-RUZDIDTESA-N 0 0 519.598 4.537 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224188659 571493118 /nfs/dbraw/zinc/49/31/18/571493118.db2.gz VMNGIKAKSHKONS-DEOSSOPVSA-N 0 0 610.733 4.605 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224192847 571493889 /nfs/dbraw/zinc/49/38/89/571493889.db2.gz MCOJJTUXNILOFD-RUZDIDTESA-N 0 0 540.016 4.802 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224192898 571493923 /nfs/dbraw/zinc/49/39/23/571493923.db2.gz MCOJJTUXNILOFD-VWLOTQADSA-N 0 0 540.016 4.802 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224206459 571496553 /nfs/dbraw/zinc/49/65/53/571496553.db2.gz AEZGQCXDWSHYCQ-LJAQVGFWSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224206513 571496560 /nfs/dbraw/zinc/49/65/60/571496560.db2.gz AEZGQCXDWSHYCQ-GDLZYMKVSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224206584 571496605 /nfs/dbraw/zinc/49/66/05/571496605.db2.gz AGSNBEWUNBWNKG-LJAQVGFWSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224206641 571496615 /nfs/dbraw/zinc/49/66/15/571496615.db2.gz AGSNBEWUNBWNKG-GDLZYMKVSA-N 0 0 592.718 4.965 40 5 KJBBRN Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224212576 571498125 /nfs/dbraw/zinc/49/81/25/571498125.db2.gz AXYGPNVEWSYOQP-NDEPHWFRSA-N 0 0 594.734 4.532 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224214453 571498484 /nfs/dbraw/zinc/49/84/84/571498484.db2.gz BFGQNHSQGRABPA-OAQYLSRUSA-N 0 0 587.098 4.633 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224214506 571498410 /nfs/dbraw/zinc/49/84/10/571498410.db2.gz BFGQNHSQGRABPA-NRFANRHFSA-N 0 0 587.098 4.633 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224214585 571498479 /nfs/dbraw/zinc/49/84/79/571498479.db2.gz IDLSHHLXHPPEEP-OAQYLSRUSA-N 0 0 587.098 4.633 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224214644 571498463 /nfs/dbraw/zinc/49/84/63/571498463.db2.gz IDLSHHLXHPPEEP-NRFANRHFSA-N 0 0 587.098 4.633 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224220693 571499888 /nfs/dbraw/zinc/49/98/88/571499888.db2.gz RVJUKRHNAHNKNH-SANMLTNESA-N 0 0 533.625 4.845 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224220744 571499875 /nfs/dbraw/zinc/49/98/75/571499875.db2.gz RVJUKRHNAHNKNH-AREMUKBSSA-N 0 0 533.625 4.845 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224222592 571500581 /nfs/dbraw/zinc/50/05/81/571500581.db2.gz JKGVTJZLHKRIRT-QFIPXVFZSA-N 0 0 631.151 4.950 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224238191 571504067 /nfs/dbraw/zinc/50/40/67/571504067.db2.gz BGJLYZPRPNTAHR-RUZDIDTESA-N 0 0 540.016 4.802 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224238239 571504044 /nfs/dbraw/zinc/50/40/44/571504044.db2.gz BGJLYZPRPNTAHR-VWLOTQADSA-N 0 0 540.016 4.802 40 5 KJBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224245074 571505133 /nfs/dbraw/zinc/50/51/33/571505133.db2.gz AUVRBBZXANITGJ-NDEPHWFRSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224249330 571505991 /nfs/dbraw/zinc/50/59/91/571505991.db2.gz VGBUOQNONOUAIW-LJAQVGFWSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224249395 571506194 /nfs/dbraw/zinc/50/61/94/571506194.db2.gz VGBUOQNONOUAIW-GDLZYMKVSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224249480 571506135 /nfs/dbraw/zinc/50/61/35/571506135.db2.gz CWKPTFZESLCGMQ-LJAQVGFWSA-N 0 0 592.718 4.965 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224249543 571506196 /nfs/dbraw/zinc/50/61/96/571506196.db2.gz CWKPTFZESLCGMQ-GDLZYMKVSA-N 0 0 592.718 4.965 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224250455 571506337 /nfs/dbraw/zinc/50/63/37/571506337.db2.gz BHIJNPWVVLMRKC-OAQYLSRUSA-N 0 0 587.098 4.633 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224250506 571506284 /nfs/dbraw/zinc/50/62/84/571506284.db2.gz BHIJNPWVVLMRKC-NRFANRHFSA-N 0 0 587.098 4.633 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224250582 571506513 /nfs/dbraw/zinc/50/65/13/571506513.db2.gz LGQIMWLNEMWPLT-OAQYLSRUSA-N 0 0 587.098 4.633 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224250634 571506496 /nfs/dbraw/zinc/50/64/96/571506496.db2.gz LGQIMWLNEMWPLT-NRFANRHFSA-N 0 0 587.098 4.633 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224252628 571506994 /nfs/dbraw/zinc/50/69/94/571506994.db2.gz VJRWRTXVHFFFKE-SANMLTNESA-N 0 0 533.625 4.845 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224252679 571506983 /nfs/dbraw/zinc/50/69/83/571506983.db2.gz VJRWRTXVHFFFKE-AREMUKBSSA-N 0 0 533.625 4.845 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224258391 571508204 /nfs/dbraw/zinc/50/82/04/571508204.db2.gz VOMCUVYUSGZRIF-QFIPXVFZSA-N 0 0 631.151 4.950 40 5 KJBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000224276368 571511802 /nfs/dbraw/zinc/51/18/02/571511802.db2.gz XRJGVALTYYPZAD-NDEPHWFRSA-N 0 0 594.734 4.532 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224281499 571512544 /nfs/dbraw/zinc/51/25/44/571512544.db2.gz KVQOGTLAPBXQCB-RUZDIDTESA-N 0 0 540.016 4.802 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224281548 571512745 /nfs/dbraw/zinc/51/27/45/571512745.db2.gz KVQOGTLAPBXQCB-VWLOTQADSA-N 0 0 540.016 4.802 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224284082 571513242 /nfs/dbraw/zinc/51/32/42/571513242.db2.gz YHIPZVQCVXHIMN-SANMLTNESA-N 0 0 533.625 4.845 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224284129 571513232 /nfs/dbraw/zinc/51/32/32/571513232.db2.gz YHIPZVQCVXHIMN-AREMUKBSSA-N 0 0 533.625 4.845 40 5 KJBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224286840 571513783 /nfs/dbraw/zinc/51/37/83/571513783.db2.gz SGXUQXCSBDUPFL-AREMUKBSSA-N 0 0 617.124 4.704 40 5 KJBBRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224286898 571513807 /nfs/dbraw/zinc/51/38/07/571513807.db2.gz SGXUQXCSBDUPFL-SANMLTNESA-N 0 0 617.124 4.704 40 5 KJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224304295 571517817 /nfs/dbraw/zinc/51/78/17/571517817.db2.gz DCOXSFOIIDPNEL-AREMUKBSSA-N 0 0 601.125 4.569 40 5 KJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224304350 571517861 /nfs/dbraw/zinc/51/78/61/571517861.db2.gz DCOXSFOIIDPNEL-SANMLTNESA-N 0 0 601.125 4.569 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224307125 571518528 /nfs/dbraw/zinc/51/85/28/571518528.db2.gz IRRLBBMCZNRFPC-SANMLTNESA-N 0 0 631.151 4.578 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224309546 571519053 /nfs/dbraw/zinc/51/90/53/571519053.db2.gz AXLCUGJRUZYXHP-MHZLTWQESA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224319169 571521079 /nfs/dbraw/zinc/52/10/79/571521079.db2.gz GARATOGUZUORSW-NRFANRHFSA-N 0 0 503.983 4.502 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224319222 571521068 /nfs/dbraw/zinc/52/10/68/571521068.db2.gz GARATOGUZUORSW-OAQYLSRUSA-N 0 0 503.983 4.502 40 5 KJBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224329323 571522877 /nfs/dbraw/zinc/52/28/77/571522877.db2.gz RYWWZGMIFZYIIB-AREMUKBSSA-N 0 0 617.124 4.704 40 5 KJBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224329382 571523001 /nfs/dbraw/zinc/52/30/01/571523001.db2.gz RYWWZGMIFZYIIB-SANMLTNESA-N 0 0 617.124 4.704 40 5 KJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224337784 571525140 /nfs/dbraw/zinc/52/51/40/571525140.db2.gz JBIPLJXJCHNZOU-AREMUKBSSA-N 0 0 601.125 4.569 40 5 KJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224337834 571525149 /nfs/dbraw/zinc/52/51/49/571525149.db2.gz JBIPLJXJCHNZOU-SANMLTNESA-N 0 0 601.125 4.569 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224340653 571525896 /nfs/dbraw/zinc/52/58/96/571525896.db2.gz GKOGJLQKJJJGCY-SANMLTNESA-N 0 0 631.151 4.578 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224343035 571526432 /nfs/dbraw/zinc/52/64/32/571526432.db2.gz KVUTUMZIMJTISD-MHZLTWQESA-N 0 0 615.152 4.877 40 5 KJBBRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000224356791 571529149 /nfs/dbraw/zinc/52/91/49/571529149.db2.gz ZDFFSWQKCIWSBR-SZXQPVLSSA-N 0 0 535.622 4.505 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224360514 571529876 /nfs/dbraw/zinc/52/98/76/571529876.db2.gz MLZZXFLSNRMZQB-NRFANRHFSA-N 0 0 503.983 4.502 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224360564 571529918 /nfs/dbraw/zinc/52/99/18/571529918.db2.gz MLZZXFLSNRMZQB-OAQYLSRUSA-N 0 0 503.983 4.502 40 5 KJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224371435 571532085 /nfs/dbraw/zinc/53/20/85/571532085.db2.gz UIUAVXUMFGHAJT-AREMUKBSSA-N 0 0 601.125 4.569 40 5 KJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224371492 571532223 /nfs/dbraw/zinc/53/22/23/571532223.db2.gz UIUAVXUMFGHAJT-SANMLTNESA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224374028 571532739 /nfs/dbraw/zinc/53/27/39/571532739.db2.gz HVZVNCATDRYHBC-NDEPHWFRSA-N 0 0 596.681 4.795 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224374077 571532713 /nfs/dbraw/zinc/53/27/13/571532713.db2.gz HVZVNCATDRYHBC-MUUNZHRXSA-N 0 0 596.681 4.795 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224374160 571532833 /nfs/dbraw/zinc/53/28/33/571532833.db2.gz VKLQNENSEBGHTN-NDEPHWFRSA-N 0 0 596.681 4.795 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224374218 571532827 /nfs/dbraw/zinc/53/28/27/571532827.db2.gz VKLQNENSEBGHTN-MUUNZHRXSA-N 0 0 596.681 4.795 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224374259 571532850 /nfs/dbraw/zinc/53/28/50/571532850.db2.gz ZZSDBJFUSRSRBH-SANMLTNESA-N 0 0 631.151 4.578 40 5 KJBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224375095 571532974 /nfs/dbraw/zinc/53/29/74/571532974.db2.gz AGYDLUKPNUYOTB-XMMPIXPASA-N 0 0 635.114 4.843 40 5 KJBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224375151 571532957 /nfs/dbraw/zinc/53/29/57/571532957.db2.gz AGYDLUKPNUYOTB-DEOSSOPVSA-N 0 0 635.114 4.843 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224376676 571533447 /nfs/dbraw/zinc/53/34/47/571533447.db2.gz LURPEHKYKVFHJJ-MHZLTWQESA-N 0 0 615.152 4.877 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224397867 571537484 /nfs/dbraw/zinc/53/74/84/571537484.db2.gz ZFLBITQMFGKMCX-HHHXNRCGSA-N 0 0 645.576 4.598 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224397924 571537565 /nfs/dbraw/zinc/53/75/65/571537565.db2.gz ZFLBITQMFGKMCX-MHZLTWQESA-N 0 0 645.576 4.598 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224407466 571539528 /nfs/dbraw/zinc/53/95/28/571539528.db2.gz YDRQLXBLMYFDAA-RUZDIDTESA-N 0 0 584.467 4.911 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224407522 571539514 /nfs/dbraw/zinc/53/95/14/571539514.db2.gz YDRQLXBLMYFDAA-VWLOTQADSA-N 0 0 584.467 4.911 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224418913 571542162 /nfs/dbraw/zinc/54/21/62/571542162.db2.gz DAFSXMRQWMCVEW-VWLOTQADSA-N 0 0 537.588 4.676 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224418949 571542194 /nfs/dbraw/zinc/54/21/94/571542194.db2.gz DAFSXMRQWMCVEW-RUZDIDTESA-N 0 0 537.588 4.676 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224429427 571544076 /nfs/dbraw/zinc/54/40/76/571544076.db2.gz CXSSJVKXDJRKBK-QHCPKHFHSA-N 0 0 585.510 4.534 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224429481 571544019 /nfs/dbraw/zinc/54/40/19/571544019.db2.gz CXSSJVKXDJRKBK-HSZRJFAPSA-N 0 0 585.510 4.534 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224433022 571544789 /nfs/dbraw/zinc/54/47/89/571544789.db2.gz KVDULQYRDZIFQY-QFIPXVFZSA-N 0 0 615.536 4.542 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224433076 571544755 /nfs/dbraw/zinc/54/47/55/571544755.db2.gz KVDULQYRDZIFQY-JOCHJYFZSA-N 0 0 615.536 4.542 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224435909 571545489 /nfs/dbraw/zinc/54/54/89/571545489.db2.gz NOCUMKDLXKBPEP-QHCPKHFHSA-N 0 0 599.537 4.842 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224435962 571545464 /nfs/dbraw/zinc/54/54/64/571545464.db2.gz NOCUMKDLXKBPEP-HSZRJFAPSA-N 0 0 599.537 4.842 40 5 KJBBRN COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224437889 571545778 /nfs/dbraw/zinc/54/57/78/571545778.db2.gz KOTOHIRKMQIJDN-QFIPXVFZSA-N 0 0 661.177 4.959 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224440225 571546404 /nfs/dbraw/zinc/54/64/04/571546404.db2.gz YEKCFUWHFNMVGX-HHHXNRCGSA-N 0 0 645.576 4.598 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224440279 571546392 /nfs/dbraw/zinc/54/63/92/571546392.db2.gz YEKCFUWHFNMVGX-MHZLTWQESA-N 0 0 645.576 4.598 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224449285 571548732 /nfs/dbraw/zinc/54/87/32/571548732.db2.gz VLFMOGYJQDUVHG-RUZDIDTESA-N 0 0 584.467 4.911 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224449334 571548696 /nfs/dbraw/zinc/54/86/96/571548696.db2.gz VLFMOGYJQDUVHG-VWLOTQADSA-N 0 0 584.467 4.911 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224452978 571549444 /nfs/dbraw/zinc/54/94/44/571549444.db2.gz UXKAOWWCIKYPIB-VWLOTQADSA-N 0 0 537.588 4.676 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000224453027 571549419 /nfs/dbraw/zinc/54/94/19/571549419.db2.gz UXKAOWWCIKYPIB-RUZDIDTESA-N 0 0 537.588 4.676 40 5 KJBBRN COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224468613 571553033 /nfs/dbraw/zinc/55/30/33/571553033.db2.gz IFFSRDPMERBMPE-QFIPXVFZSA-N 0 0 661.177 4.959 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224470536 571553464 /nfs/dbraw/zinc/55/34/64/571553464.db2.gz KGNMQVUCQUMOIF-QHCPKHFHSA-N 0 0 585.510 4.534 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224470587 571553529 /nfs/dbraw/zinc/55/35/29/571553529.db2.gz KGNMQVUCQUMOIF-HSZRJFAPSA-N 0 0 585.510 4.534 40 5 KJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224473028 571554107 /nfs/dbraw/zinc/55/41/07/571554107.db2.gz KADRIGMWPXHMGK-AREMUKBSSA-N 0 0 645.576 4.678 40 5 KJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224473083 571554047 /nfs/dbraw/zinc/55/40/47/571554047.db2.gz KADRIGMWPXHMGK-SANMLTNESA-N 0 0 645.576 4.678 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224473924 571554390 /nfs/dbraw/zinc/55/43/90/571554390.db2.gz HCXKEKQQXCZIMZ-QFIPXVFZSA-N 0 0 615.536 4.542 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224473983 571554370 /nfs/dbraw/zinc/55/43/70/571554370.db2.gz HCXKEKQQXCZIMZ-JOCHJYFZSA-N 0 0 615.536 4.542 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224474800 571554600 /nfs/dbraw/zinc/55/46/00/571554600.db2.gz XOBLRYUVJKDQAH-AREMUKBSSA-N 0 0 621.543 4.834 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224474853 571554586 /nfs/dbraw/zinc/55/45/86/571554586.db2.gz XOBLRYUVJKDQAH-SANMLTNESA-N 0 0 621.543 4.834 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224475726 571554808 /nfs/dbraw/zinc/55/48/08/571554808.db2.gz YPXUOSSAZVSIDD-SANMLTNESA-N 0 0 675.602 4.687 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224476896 571554912 /nfs/dbraw/zinc/55/49/12/571554912.db2.gz QYMHNUKBMAQJIH-QHCPKHFHSA-N 0 0 599.537 4.842 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224476945 571554905 /nfs/dbraw/zinc/55/49/05/571554905.db2.gz QYMHNUKBMAQJIH-HSZRJFAPSA-N 0 0 599.537 4.842 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224477932 571555327 /nfs/dbraw/zinc/55/53/27/571555327.db2.gz HDUQBFCIJUKATP-MHZLTWQESA-N 0 0 659.603 4.987 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224478207 571555280 /nfs/dbraw/zinc/55/52/80/571555280.db2.gz LVGJQHSOEBSAHH-AREMUKBSSA-N 0 0 651.569 4.843 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224478259 571555212 /nfs/dbraw/zinc/55/52/12/571555212.db2.gz LVGJQHSOEBSAHH-SANMLTNESA-N 0 0 651.569 4.843 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224499923 571561264 /nfs/dbraw/zinc/56/12/64/571561264.db2.gz INLQXZIJZUVKLF-QHCPKHFHSA-N 0 0 645.178 4.993 40 5 KJBBRN CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224504256 571562144 /nfs/dbraw/zinc/56/21/44/571562144.db2.gz FGCNYRZSCITOFG-AREMUKBSSA-N 0 0 645.576 4.678 40 5 KJBBRN CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224504299 571562137 /nfs/dbraw/zinc/56/21/37/571562137.db2.gz FGCNYRZSCITOFG-SANMLTNESA-N 0 0 645.576 4.678 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224506938 571562835 /nfs/dbraw/zinc/56/28/35/571562835.db2.gz NAAOMQJBZXWQJG-SANMLTNESA-N 0 0 675.602 4.687 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224508889 571563225 /nfs/dbraw/zinc/56/32/25/571563225.db2.gz HMZKTEGPAIVMIJ-QHCPKHFHSA-N 0 0 585.510 4.534 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224508935 571563239 /nfs/dbraw/zinc/56/32/39/571563239.db2.gz HMZKTEGPAIVMIJ-HSZRJFAPSA-N 0 0 585.510 4.534 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000224509169 571563223 /nfs/dbraw/zinc/56/32/23/571563223.db2.gz PUNWVNLPMDJQJW-MHZLTWQESA-N 0 0 659.603 4.987 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224512091 571563775 /nfs/dbraw/zinc/56/37/75/571563775.db2.gz QSQBGIIPQVKWJT-QFIPXVFZSA-N 0 0 615.536 4.542 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224512146 571563902 /nfs/dbraw/zinc/56/39/02/571563902.db2.gz QSQBGIIPQVKWJT-JOCHJYFZSA-N 0 0 615.536 4.542 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224514644 193956613 /nfs/dbraw/zinc/95/66/13/193956613.db2.gz XOSVOUKETHJWCY-AREMUKBSSA-N 0 0 621.543 4.834 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224514692 193956560 /nfs/dbraw/zinc/95/65/60/193956560.db2.gz XOSVOUKETHJWCY-SANMLTNESA-N 0 0 621.543 4.834 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224514896 571564279 /nfs/dbraw/zinc/56/42/79/571564279.db2.gz MRFNGVZFEOJHOZ-QHCPKHFHSA-N 0 0 599.537 4.842 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224514946 571564332 /nfs/dbraw/zinc/56/43/32/571564332.db2.gz MRFNGVZFEOJHOZ-HSZRJFAPSA-N 0 0 599.537 4.842 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224518018 571564742 /nfs/dbraw/zinc/56/47/42/571564742.db2.gz LBJNTQJSMMQKQK-AREMUKBSSA-N 0 0 651.569 4.843 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224518064 193958124 /nfs/dbraw/zinc/95/81/24/193958124.db2.gz LBJNTQJSMMQKQK-SANMLTNESA-N 0 0 651.569 4.843 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224533881 571568254 /nfs/dbraw/zinc/56/82/54/571568254.db2.gz YOXYDHZUYWXSLO-NDEPHWFRSA-N 0 0 610.733 4.687 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224533930 571568351 /nfs/dbraw/zinc/56/83/51/571568351.db2.gz YOXYDHZUYWXSLO-MUUNZHRXSA-N 0 0 610.733 4.687 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224535617 571568842 /nfs/dbraw/zinc/56/88/42/571568842.db2.gz NHTJOMRDSXUEFF-LJAQVGFWSA-N 0 0 608.717 4.665 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224535664 571568837 /nfs/dbraw/zinc/56/88/37/571568837.db2.gz NHTJOMRDSXUEFF-GDLZYMKVSA-N 0 0 608.717 4.665 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224535732 571568817 /nfs/dbraw/zinc/56/88/17/571568817.db2.gz MPHXQMLTHWYOGO-LJAQVGFWSA-N 0 0 608.717 4.665 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224535787 571568810 /nfs/dbraw/zinc/56/88/10/571568810.db2.gz MPHXQMLTHWYOGO-GDLZYMKVSA-N 0 0 608.717 4.665 40 5 KJBBRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224537028 571569216 /nfs/dbraw/zinc/56/92/16/571569216.db2.gz AOCSUBQVOFSWLZ-RUZDIDTESA-N 0 0 647.150 4.713 40 5 KJBBRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224537084 571569275 /nfs/dbraw/zinc/56/92/75/571569275.db2.gz AOCSUBQVOFSWLZ-VWLOTQADSA-N 0 0 647.150 4.713 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224545407 571571200 /nfs/dbraw/zinc/57/12/00/571571200.db2.gz SKICTAZOHDQDQV-PMERELPUSA-N 0 0 652.770 4.982 40 5 KJBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224545452 571571224 /nfs/dbraw/zinc/57/12/24/571571224.db2.gz SKICTAZOHDQDQV-SSEXGKCCSA-N 0 0 652.770 4.982 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224553884 571573116 /nfs/dbraw/zinc/57/31/16/571573116.db2.gz DHXUQJAMJMCKIE-AREMUKBSSA-N 0 0 621.543 4.834 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224553938 571573121 /nfs/dbraw/zinc/57/31/21/571573121.db2.gz DHXUQJAMJMCKIE-SANMLTNESA-N 0 0 621.543 4.834 40 5 KJBBRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224557228 571573793 /nfs/dbraw/zinc/57/37/93/571573793.db2.gz XKWRDTHOPGJDHT-AREMUKBSSA-N 0 0 651.569 4.843 40 5 KJBBRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000224557274 571573809 /nfs/dbraw/zinc/57/38/09/571573809.db2.gz XKWRDTHOPGJDHT-SANMLTNESA-N 0 0 651.569 4.843 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224561932 571575060 /nfs/dbraw/zinc/57/50/60/571575060.db2.gz WNRCKYUAKXQVRO-NDEPHWFRSA-N 0 0 580.707 4.678 40 5 KJBBRN 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CCC1(CC)C[C@H](NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000224763954 571614991 /nfs/dbraw/zinc/61/49/91/571614991.db2.gz RUZLUSVVQMUYSH-NRFANRHFSA-N 0 0 503.621 4.648 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224784580 571616841 /nfs/dbraw/zinc/61/68/41/571616841.db2.gz SHBXOPOGCALYJR-KRWDZBQOSA-N 0 0 503.983 4.502 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224784624 571616843 /nfs/dbraw/zinc/61/68/43/571616843.db2.gz SHBXOPOGCALYJR-QGZVFWFLSA-N 0 0 503.983 4.502 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224785642 571616961 /nfs/dbraw/zinc/61/69/61/571616961.db2.gz LZVVVKNSHYAXMH-MHZLTWQESA-N 0 0 531.609 4.681 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224785684 571616950 /nfs/dbraw/zinc/61/69/50/571616950.db2.gz LZVVVKNSHYAXMH-HHHXNRCGSA-N 0 0 531.609 4.681 40 5 KJBBRN 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MISXKGUSEWRJKK-UHFFFAOYSA-N 0 0 501.536 4.660 40 5 KJBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224807060 571618919 /nfs/dbraw/zinc/61/89/19/571618919.db2.gz KHUYBLPXQZDARL-UHFFFAOYSA-N 0 0 501.536 4.660 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224812462 571619479 /nfs/dbraw/zinc/61/94/79/571619479.db2.gz PLHZPTKRUNQDHL-NDEPHWFRSA-N 0 0 545.636 4.990 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224812499 571619539 /nfs/dbraw/zinc/61/95/39/571619539.db2.gz PLHZPTKRUNQDHL-MUUNZHRXSA-N 0 0 545.636 4.990 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224814264 571619600 /nfs/dbraw/zinc/61/96/00/571619600.db2.gz ZKTAWYYBSKRBJN-KRWDZBQOSA-N 0 0 503.983 4.502 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000224814317 571619620 /nfs/dbraw/zinc/61/96/20/571619620.db2.gz ZKTAWYYBSKRBJN-QGZVFWFLSA-N 0 0 503.983 4.502 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000224816762 571619840 /nfs/dbraw/zinc/61/98/40/571619840.db2.gz YVHNKJUAWLPHEP-DQEYMECFSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000224816814 571619831 /nfs/dbraw/zinc/61/98/31/571619831.db2.gz YVHNKJUAWLPHEP-RPBOFIJWSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000224816855 571619847 /nfs/dbraw/zinc/61/98/47/571619847.db2.gz YVHNKJUAWLPHEP-LOSJGSFVSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000224816903 571619860 /nfs/dbraw/zinc/61/98/60/571619860.db2.gz YVHNKJUAWLPHEP-JWQCQUIFSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000224816964 571619821 /nfs/dbraw/zinc/61/98/21/571619821.db2.gz QCTDDTLUFGNKOS-DQEYMECFSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000224817008 571619809 /nfs/dbraw/zinc/61/98/09/571619809.db2.gz QCTDDTLUFGNKOS-RPBOFIJWSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000224817043 571619837 /nfs/dbraw/zinc/61/98/37/571619837.db2.gz QCTDDTLUFGNKOS-LOSJGSFVSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000224817086 571619912 /nfs/dbraw/zinc/61/99/12/571619912.db2.gz QCTDDTLUFGNKOS-JWQCQUIFSA-N 0 0 501.568 4.975 40 5 KJBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224822519 571620443 /nfs/dbraw/zinc/62/04/43/571620443.db2.gz PSAGCNXMWGHDDI-UHFFFAOYSA-N 0 0 516.579 4.799 40 5 KJBBRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1 ZINC000224822645 571620426 /nfs/dbraw/zinc/62/04/26/571620426.db2.gz OADZCDLSZAGUSZ-UHFFFAOYSA-N 0 0 525.627 4.667 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224824617 571620645 /nfs/dbraw/zinc/62/06/45/571620645.db2.gz OXNBPYPNTQALEY-QFIPXVFZSA-N 0 0 596.681 4.795 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224824662 571620643 /nfs/dbraw/zinc/62/06/43/571620643.db2.gz OXNBPYPNTQALEY-JOCHJYFZSA-N 0 0 596.681 4.795 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224824725 571620656 /nfs/dbraw/zinc/62/06/56/571620656.db2.gz CKNASVZMOXBVHT-QFIPXVFZSA-N 0 0 596.681 4.795 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224824773 571620658 /nfs/dbraw/zinc/62/06/58/571620658.db2.gz CKNASVZMOXBVHT-JOCHJYFZSA-N 0 0 596.681 4.795 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224827886 571621012 /nfs/dbraw/zinc/62/10/12/571621012.db2.gz FYQSYUTZBCWFBZ-OAQYLSRUSA-N 0 0 617.124 4.704 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224827930 571621049 /nfs/dbraw/zinc/62/10/49/571621049.db2.gz FYQSYUTZBCWFBZ-NRFANRHFSA-N 0 0 617.124 4.704 40 5 KJBBRN Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224832442 571621435 /nfs/dbraw/zinc/62/14/35/571621435.db2.gz VPNBLVPMVNTEBX-PMERELPUSA-N 0 0 606.745 4.677 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224832620 571621485 /nfs/dbraw/zinc/62/14/85/571621485.db2.gz VKJMPCMNIRBMHN-QFIPXVFZSA-N 0 0 587.526 4.556 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224832664 571621518 /nfs/dbraw/zinc/62/15/18/571621518.db2.gz VKJMPCMNIRBMHN-JOCHJYFZSA-N 0 0 587.526 4.556 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)S(C)(=O)=O ZINC000224834042 571621637 /nfs/dbraw/zinc/62/16/37/571621637.db2.gz PPJOAYJIVRAKKE-UHFFFAOYSA-N 0 0 546.605 4.808 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O ZINC000224834180 571621635 /nfs/dbraw/zinc/62/16/35/571621635.db2.gz FAOWWKDNAYHRPH-UHFFFAOYSA-N 0 0 555.653 4.676 40 5 KJBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224836493 571621917 /nfs/dbraw/zinc/62/19/17/571621917.db2.gz SKZSTVISZGDLLQ-UHFFFAOYSA-N 0 0 503.964 4.720 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224838740 571622158 /nfs/dbraw/zinc/62/21/58/571622158.db2.gz GURVEKBFUYGJEY-NDEPHWFRSA-N 0 0 545.636 4.990 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224838781 571622136 /nfs/dbraw/zinc/62/21/36/571622136.db2.gz GURVEKBFUYGJEY-MUUNZHRXSA-N 0 0 545.636 4.990 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224840594 571622274 /nfs/dbraw/zinc/62/22/74/571622274.db2.gz RVQFASPRXZYBPJ-FQEVSTJZSA-N 0 0 526.417 4.869 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224840642 571622279 /nfs/dbraw/zinc/62/22/79/571622279.db2.gz RVQFASPRXZYBPJ-HXUWFJFHSA-N 0 0 526.417 4.869 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224849177 571622936 /nfs/dbraw/zinc/62/29/36/571622936.db2.gz UERVQSYIZOPMHX-DQEYMECFSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224849220 571622924 /nfs/dbraw/zinc/62/29/24/571622924.db2.gz UERVQSYIZOPMHX-RPBOFIJWSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224849264 571622960 /nfs/dbraw/zinc/62/29/60/571622960.db2.gz UERVQSYIZOPMHX-LOSJGSFVSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224849303 571622941 /nfs/dbraw/zinc/62/29/41/571622941.db2.gz UERVQSYIZOPMHX-JWQCQUIFSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224849368 571622962 /nfs/dbraw/zinc/62/29/62/571622962.db2.gz KDERUBJSGHIYAH-DQEYMECFSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224849412 571622945 /nfs/dbraw/zinc/62/29/45/571622945.db2.gz KDERUBJSGHIYAH-RPBOFIJWSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224849455 571622916 /nfs/dbraw/zinc/62/29/16/571622916.db2.gz KDERUBJSGHIYAH-LOSJGSFVSA-N 0 0 501.568 4.975 40 5 KJBBRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224849500 571622958 /nfs/dbraw/zinc/62/29/58/571622958.db2.gz KDERUBJSGHIYAH-JWQCQUIFSA-N 0 0 501.568 4.975 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O ZINC000224856811 571623748 /nfs/dbraw/zinc/62/37/48/571623748.db2.gz UBLCLJFWCIJOLG-UHFFFAOYSA-N 0 0 539.654 4.976 40 5 KJBBRN CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000224857001 571623755 /nfs/dbraw/zinc/62/37/55/571623755.db2.gz XYTDYSYDWSKQDH-UHFFFAOYSA-N 0 0 525.627 4.631 40 5 KJBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224858320 571623883 /nfs/dbraw/zinc/62/38/83/571623883.db2.gz XSGATFJTEDKVFU-PMERELPUSA-N 0 0 606.745 4.677 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224861419 571624206 /nfs/dbraw/zinc/62/42/06/571624206.db2.gz XRQDGJZOYDVAAK-KRWDZBQOSA-N 0 0 585.510 4.534 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224861461 571624198 /nfs/dbraw/zinc/62/41/98/571624198.db2.gz XRQDGJZOYDVAAK-QGZVFWFLSA-N 0 0 585.510 4.534 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224863683 571624416 /nfs/dbraw/zinc/62/44/16/571624416.db2.gz XPIOURGNHFDGBN-UHFFFAOYSA-N 0 0 539.488 4.644 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224863692 571624397 /nfs/dbraw/zinc/62/43/97/571624397.db2.gz KGNXOVLCSSLNJG-KRWDZBQOSA-N 0 0 615.536 4.542 40 5 KJBBRN Cc1c(N(Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000224863914 571624478 /nfs/dbraw/zinc/62/44/78/571624478.db2.gz WVQCGZWJZOUART-UHFFFAOYSA-N 0 0 539.654 4.976 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224864017 571624471 /nfs/dbraw/zinc/62/44/71/571624471.db2.gz NWSAYKYNQGOENH-NDEPHWFRSA-N 0 0 545.636 4.990 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224864055 571624477 /nfs/dbraw/zinc/62/44/77/571624477.db2.gz NWSAYKYNQGOENH-MUUNZHRXSA-N 0 0 545.636 4.990 40 5 KJBBRN CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)cc1 ZINC000224864104 571624452 /nfs/dbraw/zinc/62/44/52/571624452.db2.gz PZBOJHDOFYJVFQ-UHFFFAOYSA-N 0 0 525.627 4.631 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224864916 571624583 /nfs/dbraw/zinc/62/45/83/571624583.db2.gz LHLZANNMECVDNT-HXUWFJFHSA-N 0 0 635.114 4.843 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224864959 571624571 /nfs/dbraw/zinc/62/45/71/571624571.db2.gz LHLZANNMECVDNT-FQEVSTJZSA-N 0 0 635.114 4.843 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224865667 571624624 /nfs/dbraw/zinc/62/46/24/571624624.db2.gz PRJSFZPIMWIFMG-SFHVURJKSA-N 0 0 599.537 4.842 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224866690 571624721 /nfs/dbraw/zinc/62/47/21/571624721.db2.gz MZXTZTNUHHWXCB-QFIPXVFZSA-N 0 0 587.526 4.556 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224866736 571624746 /nfs/dbraw/zinc/62/47/46/571624746.db2.gz MZXTZTNUHHWXCB-JOCHJYFZSA-N 0 0 587.526 4.556 40 5 KJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1nnc(SCc2ccccc2)s1 ZINC000224867189 571624794 /nfs/dbraw/zinc/62/47/94/571624794.db2.gz JDDLOJHOAYTCHW-UHFFFAOYSA-N 0 0 541.636 4.573 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224870364 571625148 /nfs/dbraw/zinc/62/51/48/571625148.db2.gz QNOJMFLVKJLBGG-VWLOTQADSA-N 0 0 540.016 4.800 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224870407 571625092 /nfs/dbraw/zinc/62/50/92/571625092.db2.gz QNOJMFLVKJLBGG-RUZDIDTESA-N 0 0 540.016 4.800 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224873489 571625536 /nfs/dbraw/zinc/62/55/36/571625536.db2.gz UDRQNSJZGFGVQF-FQEVSTJZSA-N 0 0 526.417 4.869 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000224873525 571625530 /nfs/dbraw/zinc/62/55/30/571625530.db2.gz UDRQNSJZGFGVQF-HXUWFJFHSA-N 0 0 526.417 4.869 40 5 KJBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000224879536 571626021 /nfs/dbraw/zinc/62/60/21/571626021.db2.gz PXWOOLANBUQGLH-NDEPHWFRSA-N 0 0 613.136 4.713 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224881299 571626139 /nfs/dbraw/zinc/62/61/39/571626139.db2.gz JLMSYUDHMMGSSU-NDEPHWFRSA-N 0 0 643.162 4.722 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224889113 571627092 /nfs/dbraw/zinc/62/70/92/571627092.db2.gz XLSBPRWOXGYFLC-KRWDZBQOSA-N 0 0 585.510 4.534 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224889152 571627078 /nfs/dbraw/zinc/62/70/78/571627078.db2.gz XLSBPRWOXGYFLC-QGZVFWFLSA-N 0 0 585.510 4.534 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224891389 571627335 /nfs/dbraw/zinc/62/73/35/571627335.db2.gz YLVCMJZDGZUXAI-KRWDZBQOSA-N 0 0 615.536 4.542 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224892253 571627380 /nfs/dbraw/zinc/62/73/80/571627380.db2.gz GOXKOUZBQYWRAR-LJAQVGFWSA-N 0 0 640.759 4.695 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224892288 571627362 /nfs/dbraw/zinc/62/73/62/571627362.db2.gz GOXKOUZBQYWRAR-GDLZYMKVSA-N 0 0 640.759 4.695 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224893264 571627495 /nfs/dbraw/zinc/62/74/95/571627495.db2.gz SZEQCWSLTAVESQ-SFHVURJKSA-N 0 0 599.537 4.842 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224898314 571627977 /nfs/dbraw/zinc/62/79/77/571627977.db2.gz QODSQMZLDWTUMV-VWLOTQADSA-N 0 0 540.016 4.800 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224898350 571628004 /nfs/dbraw/zinc/62/80/04/571628004.db2.gz QODSQMZLDWTUMV-RUZDIDTESA-N 0 0 540.016 4.800 40 5 KJBBRN CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000224903860 571628501 /nfs/dbraw/zinc/62/85/01/571628501.db2.gz LISSUUCYZGVAFM-NDEPHWFRSA-N 0 0 613.136 4.713 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224905677 571628583 /nfs/dbraw/zinc/62/85/83/571628583.db2.gz UXKMQAUTIGNXGX-NDEPHWFRSA-N 0 0 643.162 4.722 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224916258 571629552 /nfs/dbraw/zinc/62/95/52/571629552.db2.gz MGPZTHQBZRFZHD-KRWDZBQOSA-N 0 0 585.510 4.534 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224916299 571629534 /nfs/dbraw/zinc/62/95/34/571629534.db2.gz MGPZTHQBZRFZHD-QGZVFWFLSA-N 0 0 585.510 4.534 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224918489 571629820 /nfs/dbraw/zinc/62/98/20/571629820.db2.gz MMANVRABBWVRAN-KRWDZBQOSA-N 0 0 615.536 4.542 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000224920448 571630005 /nfs/dbraw/zinc/63/00/05/571630005.db2.gz NPXNBSZNEDZPOF-SFHVURJKSA-N 0 0 599.537 4.842 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224924149 571630426 /nfs/dbraw/zinc/63/04/26/571630426.db2.gz VNVJNHBEHXGITB-LJAQVGFWSA-N 0 0 640.759 4.695 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224924194 571630444 /nfs/dbraw/zinc/63/04/44/571630444.db2.gz VNVJNHBEHXGITB-GDLZYMKVSA-N 0 0 640.759 4.695 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224925810 571630628 /nfs/dbraw/zinc/63/06/28/571630628.db2.gz OCDBOHRFDMMYEF-VWLOTQADSA-N 0 0 540.016 4.800 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000224925847 571630609 /nfs/dbraw/zinc/63/06/09/571630609.db2.gz OCDBOHRFDMMYEF-RUZDIDTESA-N 0 0 540.016 4.800 40 5 KJBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000224927330 571630797 /nfs/dbraw/zinc/63/07/97/571630797.db2.gz YHANAULOEOVOFY-NDEPHWFRSA-N 0 0 613.136 4.713 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224929118 571631012 /nfs/dbraw/zinc/63/10/12/571631012.db2.gz BVYQNOXLQJNPOL-NDEPHWFRSA-N 0 0 643.162 4.722 40 5 KJBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224935751 571631656 /nfs/dbraw/zinc/63/16/56/571631656.db2.gz BLMNKADTDZOUBG-QHCPKHFHSA-N 0 0 608.717 4.665 40 5 KJBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224935813 571631691 /nfs/dbraw/zinc/63/16/91/571631691.db2.gz ZNBSBIPVXIWRQR-QHCPKHFHSA-N 0 0 608.717 4.665 40 5 KJBBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224937200 571631834 /nfs/dbraw/zinc/63/18/34/571631834.db2.gz QVMISTXJYDQKGN-UHFFFAOYSA-N 0 0 522.410 4.840 40 5 KJBBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224937463 571631845 /nfs/dbraw/zinc/63/18/45/571631845.db2.gz BNJFZKNVUKGXFX-UHFFFAOYSA-N 0 0 538.409 4.677 40 5 KJBBRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224937531 571631894 /nfs/dbraw/zinc/63/18/94/571631894.db2.gz MSLPHLFOKIMQOK-UHFFFAOYSA-N 0 0 538.409 4.677 40 5 KJBBRN C[C@@H](CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000224937884 571631891 /nfs/dbraw/zinc/63/18/91/571631891.db2.gz GQSGOWPIEIOSHA-KRWDZBQOSA-N 0 0 501.992 4.748 40 5 KJBBRN C[C@H](CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000224937918 571631928 /nfs/dbraw/zinc/63/19/28/571631928.db2.gz GQSGOWPIEIOSHA-QGZVFWFLSA-N 0 0 501.992 4.748 40 5 KJBBRN CCc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000224938347 571631978 /nfs/dbraw/zinc/63/19/78/571631978.db2.gz HRQJPXMISYUEJG-UHFFFAOYSA-N 0 0 532.018 4.586 40 5 KJBBRN Cc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000224938413 571631990 /nfs/dbraw/zinc/63/19/90/571631990.db2.gz NSDRUEXVVXOPHM-UHFFFAOYSA-N 0 0 532.018 4.640 40 5 KJBBRN Cc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)cc1C ZINC000224938538 571631973 /nfs/dbraw/zinc/63/19/73/571631973.db2.gz GACZJKNZNMXVMD-UHFFFAOYSA-N 0 0 532.018 4.640 40 5 KJBBRN COCc1cccc(NC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000224938657 571632030 /nfs/dbraw/zinc/63/20/30/571632030.db2.gz BKFBUWACONMHAQ-UHFFFAOYSA-N 0 0 503.964 4.613 40 5 KJBBRN CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000224938796 571632032 /nfs/dbraw/zinc/63/20/32/571632032.db2.gz FUOSBSVHDCYZPQ-UHFFFAOYSA-N 0 0 546.045 4.976 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224940960 571632189 /nfs/dbraw/zinc/63/21/89/571632189.db2.gz FWGAHIKPZGFSHP-DEOSSOPVSA-N 0 0 652.770 4.982 40 5 KJBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224942522 571632349 /nfs/dbraw/zinc/63/23/49/571632349.db2.gz TZKGDCMAEGDCAH-MHZLTWQESA-N 0 0 503.574 4.975 40 5 KJBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224942564 571632393 /nfs/dbraw/zinc/63/23/93/571632393.db2.gz TZKGDCMAEGDCAH-HHHXNRCGSA-N 0 0 503.574 4.975 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000224948502 571632855 /nfs/dbraw/zinc/63/28/55/571632855.db2.gz UMHFNKQVMHHESQ-UHFFFAOYSA-N 0 0 538.626 4.736 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224954849 571633488 /nfs/dbraw/zinc/63/34/88/571633488.db2.gz IXLDNOJHESJKNQ-LJAQVGFWSA-N 0 0 610.708 4.507 40 5 KJBBRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224955631 571633517 /nfs/dbraw/zinc/63/35/17/571633517.db2.gz HBQUAFORPDZDIC-LJAQVGFWSA-N 0 0 624.760 4.729 40 5 KJBBRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224955672 571633556 /nfs/dbraw/zinc/63/35/56/571633556.db2.gz HBQUAFORPDZDIC-GDLZYMKVSA-N 0 0 624.760 4.729 40 5 KJBBRN COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224960032 571634007 /nfs/dbraw/zinc/63/40/07/571634007.db2.gz KZOBWRMXJSPFAE-QHCPKHFHSA-N 0 0 608.717 4.665 40 5 KJBBRN COc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224960090 571633977 /nfs/dbraw/zinc/63/39/77/571633977.db2.gz VXJBVNCKEACSQR-QHCPKHFHSA-N 0 0 608.717 4.665 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224960394 571634028 /nfs/dbraw/zinc/63/40/28/571634028.db2.gz WMNLBKGWUOKYEF-MHZLTWQESA-N 0 0 549.599 4.820 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224960436 571634065 /nfs/dbraw/zinc/63/40/65/571634065.db2.gz WMNLBKGWUOKYEF-HHHXNRCGSA-N 0 0 549.599 4.820 40 5 KJBBRN COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224965014 571634547 /nfs/dbraw/zinc/63/45/47/571634547.db2.gz JSMBIYVWEMQNOU-DEOSSOPVSA-N 0 0 652.770 4.982 40 5 KJBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224966959 571634793 /nfs/dbraw/zinc/63/47/93/571634793.db2.gz RVGKIMJBLWZXTD-MHZLTWQESA-N 0 0 503.574 4.975 40 5 KJBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224967001 571634759 /nfs/dbraw/zinc/63/47/59/571634759.db2.gz RVGKIMJBLWZXTD-HHHXNRCGSA-N 0 0 503.574 4.975 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224978278 571635636 /nfs/dbraw/zinc/63/56/36/571635636.db2.gz XCXNQBGEGOEUKN-LJAQVGFWSA-N 0 0 610.708 4.507 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224983505 571636119 /nfs/dbraw/zinc/63/61/19/571636119.db2.gz IZFRIICLNHSPPY-DEOSSOPVSA-N 0 0 592.718 4.699 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000224983542 571636152 /nfs/dbraw/zinc/63/61/52/571636152.db2.gz IZFRIICLNHSPPY-XMMPIXPASA-N 0 0 592.718 4.699 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224983596 571636118 /nfs/dbraw/zinc/63/61/18/571636118.db2.gz LEWCDBNTBLTGNO-DEOSSOPVSA-N 0 0 592.718 4.699 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000224983636 571636168 /nfs/dbraw/zinc/63/61/68/571636168.db2.gz LEWCDBNTBLTGNO-XMMPIXPASA-N 0 0 592.718 4.699 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224983684 571636214 /nfs/dbraw/zinc/63/62/14/571636214.db2.gz UIJPEOGRMHCOAE-MHZLTWQESA-N 0 0 549.599 4.820 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] ZINC000224983722 571636178 /nfs/dbraw/zinc/63/61/78/571636178.db2.gz UIJPEOGRMHCOAE-HHHXNRCGSA-N 0 0 549.599 4.820 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224994374 571637405 /nfs/dbraw/zinc/63/74/05/571637405.db2.gz XIAWLZCCEMVQGW-OAQYLSRUSA-N 0 0 647.150 4.713 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224994414 571637431 /nfs/dbraw/zinc/63/74/31/571637431.db2.gz XIAWLZCCEMVQGW-NRFANRHFSA-N 0 0 647.150 4.713 40 5 KJBBRN CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000224998410 571637846 /nfs/dbraw/zinc/63/78/46/571637846.db2.gz ANVBAGUAMGEMKZ-NDEPHWFRSA-N 0 0 657.587 4.822 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000224999736 571637928 /nfs/dbraw/zinc/63/79/28/571637928.db2.gz DIRFDSCRKJTCFG-MHZLTWQESA-N 0 0 645.576 4.596 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225000096 571637963 /nfs/dbraw/zinc/63/79/63/571637963.db2.gz VEOWKNBHHVRZDR-NDEPHWFRSA-N 0 0 687.613 4.831 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225005592 571638430 /nfs/dbraw/zinc/63/84/30/571638430.db2.gz UMWODPXKOPEVOQ-VWLOTQADSA-N 0 0 584.467 4.909 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225005634 571638450 /nfs/dbraw/zinc/63/84/50/571638450.db2.gz UMWODPXKOPEVOQ-RUZDIDTESA-N 0 0 584.467 4.909 40 5 KJBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225020879 571639642 /nfs/dbraw/zinc/63/96/42/571639642.db2.gz TYVBJPFXKUZGFA-NDEPHWFRSA-N 0 0 657.587 4.822 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000225022666 571639818 /nfs/dbraw/zinc/63/98/18/571639818.db2.gz OCRZFKFWZPDOMH-NDEPHWFRSA-N 0 0 687.613 4.831 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225025211 571640054 /nfs/dbraw/zinc/64/00/54/571640054.db2.gz LZJILGLWWNJDSN-OAQYLSRUSA-N 0 0 647.150 4.713 40 5 KJBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225025252 571640062 /nfs/dbraw/zinc/64/00/62/571640062.db2.gz LZJILGLWWNJDSN-NRFANRHFSA-N 0 0 647.150 4.713 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000225025475 571640074 /nfs/dbraw/zinc/64/00/74/571640074.db2.gz XPRHOXIBLMTAKZ-MHZLTWQESA-N 0 0 645.576 4.596 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225028892 571640431 /nfs/dbraw/zinc/64/04/31/571640431.db2.gz PKTWSTYUIOYWRM-DNQXCXABSA-N 0 0 610.733 4.748 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225028924 571640428 /nfs/dbraw/zinc/64/04/28/571640428.db2.gz PKTWSTYUIOYWRM-BJKOFHAPSA-N 0 0 610.733 4.748 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225031517 571640628 /nfs/dbraw/zinc/64/06/28/571640628.db2.gz FCHSFQRQBJHYMN-VWLOTQADSA-N 0 0 584.467 4.909 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000225031557 571640636 /nfs/dbraw/zinc/64/06/36/571640636.db2.gz FCHSFQRQBJHYMN-RUZDIDTESA-N 0 0 584.467 4.909 40 5 KJBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225047682 571641963 /nfs/dbraw/zinc/64/19/63/571641963.db2.gz VQWIAAYGSNRTRE-AREMUKBSSA-N 0 0 621.543 4.832 40 5 KJBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225047720 571641961 /nfs/dbraw/zinc/64/19/61/571641961.db2.gz VQWIAAYGSNRTRE-SANMLTNESA-N 0 0 621.543 4.832 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000225049874 571642171 /nfs/dbraw/zinc/64/21/71/571642171.db2.gz AMPQUZPYVLAAPR-SANMLTNESA-N 0 0 651.569 4.841 40 5 KJBBRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225056915 571642755 /nfs/dbraw/zinc/64/27/55/571642755.db2.gz ZEKFXIYXUXYJPD-JOCHJYFZSA-N 0 0 631.151 4.747 40 5 KJBBRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225056962 571642710 /nfs/dbraw/zinc/64/27/10/571642710.db2.gz ZEKFXIYXUXYJPD-QFIPXVFZSA-N 0 0 631.151 4.747 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225068762 571643857 /nfs/dbraw/zinc/64/38/57/571643857.db2.gz BJTYNOWKZJOPPI-DNQXCXABSA-N 0 0 610.733 4.748 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225068800 571643832 /nfs/dbraw/zinc/64/38/32/571643832.db2.gz BJTYNOWKZJOPPI-BJKOFHAPSA-N 0 0 610.733 4.748 40 5 KJBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225074067 571644355 /nfs/dbraw/zinc/64/43/55/571644355.db2.gz BDUVBTONXXVJPW-AREMUKBSSA-N 0 0 621.543 4.832 40 5 KJBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225074103 571644360 /nfs/dbraw/zinc/64/43/60/571644360.db2.gz BDUVBTONXXVJPW-SANMLTNESA-N 0 0 621.543 4.832 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000225076320 571644634 /nfs/dbraw/zinc/64/46/34/571644634.db2.gz XRDFCHMREQWRMG-SANMLTNESA-N 0 0 651.569 4.841 40 5 KJBBRN CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225100125 571647187 /nfs/dbraw/zinc/64/71/87/571647187.db2.gz JVKCDCQDNXXAEX-AREMUKBSSA-N 0 0 621.543 4.832 40 5 KJBBRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225100161 571647186 /nfs/dbraw/zinc/64/71/86/571647186.db2.gz JVKCDCQDNXXAEX-SANMLTNESA-N 0 0 621.543 4.832 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O ZINC000225102262 571647426 /nfs/dbraw/zinc/64/74/26/571647426.db2.gz RZFGMQKCVNSFNG-SANMLTNESA-N 0 0 651.569 4.841 40 5 KJBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225105870 571647763 /nfs/dbraw/zinc/64/77/63/571647763.db2.gz IOVOMBUIAYOSIR-NDEPHWFRSA-N 0 0 515.610 4.845 40 5 KJBBRN COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225105906 571647767 /nfs/dbraw/zinc/64/77/67/571647767.db2.gz IOVOMBUIAYOSIR-MUUNZHRXSA-N 0 0 515.610 4.845 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225108744 571648125 /nfs/dbraw/zinc/64/81/25/571648125.db2.gz GATFNYWAVFWRFV-DNQXCXABSA-N 0 0 610.733 4.748 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225108781 571648126 /nfs/dbraw/zinc/64/81/26/571648126.db2.gz GATFNYWAVFWRFV-BJKOFHAPSA-N 0 0 610.733 4.748 40 5 KJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225116317 571648954 /nfs/dbraw/zinc/64/89/54/571648954.db2.gz UMGAFDHQGURAJN-MUUNZHRXSA-N 0 0 610.733 4.749 40 5 KJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225116363 571648982 /nfs/dbraw/zinc/64/89/82/571648982.db2.gz UMGAFDHQGURAJN-NDEPHWFRSA-N 0 0 610.733 4.749 40 5 KJBBRN COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225119223 571649275 /nfs/dbraw/zinc/64/92/75/571649275.db2.gz MRKSAXBWUQWELU-YTTGMZPUSA-N 0 0 644.750 4.963 40 5 KJBBRN COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225119283 571649277 /nfs/dbraw/zinc/64/92/77/571649277.db2.gz YVJKRQJZIQKJBL-YTTGMZPUSA-N 0 0 644.750 4.963 40 5 KJBBRN COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225122372 571649593 /nfs/dbraw/zinc/64/95/93/571649593.db2.gz ZCWZRQCMUDPSRR-NDEPHWFRSA-N 0 0 561.635 4.690 40 5 KJBBRN COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000225122407 571649567 /nfs/dbraw/zinc/64/95/67/571649567.db2.gz ZCWZRQCMUDPSRR-MUUNZHRXSA-N 0 0 561.635 4.690 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225132156 571650328 /nfs/dbraw/zinc/65/03/28/571650328.db2.gz NAPOTMLSBBYOPP-UHFFFAOYSA-N 0 0 553.622 4.573 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225140965 571651283 /nfs/dbraw/zinc/65/12/83/571651283.db2.gz BCWCPEHMXWKUBE-NHCUHLMSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225141007 571651297 /nfs/dbraw/zinc/65/12/97/571651297.db2.gz BCWCPEHMXWKUBE-LEWJYISDSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225141058 571651289 /nfs/dbraw/zinc/65/12/89/571651289.db2.gz ABGBPEQHWUAQTA-NHCUHLMSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225141098 571651315 /nfs/dbraw/zinc/65/13/15/571651315.db2.gz ABGBPEQHWUAQTA-LEWJYISDSA-N 0 0 587.098 4.776 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225141130 571651336 /nfs/dbraw/zinc/65/13/36/571651336.db2.gz UZZLGCRVRHAUAU-UHFFFAOYSA-N 0 0 570.649 4.703 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225142911 571651542 /nfs/dbraw/zinc/65/15/42/571651542.db2.gz QYFHEJUNWHEDLS-OAQYLSRUSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225142951 571651571 /nfs/dbraw/zinc/65/15/71/571651571.db2.gz QYFHEJUNWHEDLS-NRFANRHFSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225143001 571651588 /nfs/dbraw/zinc/65/15/88/571651588.db2.gz LWOTUVICEHGSLV-OAQYLSRUSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225143044 571651622 /nfs/dbraw/zinc/65/16/22/571651622.db2.gz LWOTUVICEHGSLV-NRFANRHFSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225146399 571652020 /nfs/dbraw/zinc/65/20/20/571652020.db2.gz ZMAIVDGEPCOFGI-MUUNZHRXSA-N 0 0 610.733 4.749 40 5 KJBBRN CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225146443 571652028 /nfs/dbraw/zinc/65/20/28/571652028.db2.gz ZMAIVDGEPCOFGI-NDEPHWFRSA-N 0 0 610.733 4.749 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225146807 571652042 /nfs/dbraw/zinc/65/20/42/571652042.db2.gz SXYLTLBFQBYOFF-KRWDZBQOSA-N 0 0 503.983 4.502 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225146847 571652060 /nfs/dbraw/zinc/65/20/60/571652060.db2.gz SXYLTLBFQBYOFF-QGZVFWFLSA-N 0 0 503.983 4.502 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225148162 571652201 /nfs/dbraw/zinc/65/22/01/571652201.db2.gz FKEQYSNZOGOHLZ-DEOSSOPVSA-N 0 0 579.119 4.579 40 5 KJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225148200 571652234 /nfs/dbraw/zinc/65/22/34/571652234.db2.gz FKEQYSNZOGOHLZ-XMMPIXPASA-N 0 0 579.119 4.579 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225154554 571652809 /nfs/dbraw/zinc/65/28/09/571652809.db2.gz COKDAMKWGCXTHS-QFIPXVFZSA-N 0 0 518.010 4.892 40 5 KJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225154589 571652845 /nfs/dbraw/zinc/65/28/45/571652845.db2.gz COKDAMKWGCXTHS-JOCHJYFZSA-N 0 0 518.010 4.892 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225155570 571652923 /nfs/dbraw/zinc/65/29/23/571652923.db2.gz MOCRWNHBIBGHAG-QFIPXVFZSA-N 0 0 596.681 4.795 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225155603 571652941 /nfs/dbraw/zinc/65/29/41/571652941.db2.gz MOCRWNHBIBGHAG-JOCHJYFZSA-N 0 0 596.681 4.795 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225155655 571652956 /nfs/dbraw/zinc/65/29/56/571652956.db2.gz QUDNBLQMWDQQMP-QFIPXVFZSA-N 0 0 596.681 4.795 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225155691 571652920 /nfs/dbraw/zinc/65/29/20/571652920.db2.gz QUDNBLQMWDQQMP-JOCHJYFZSA-N 0 0 596.681 4.795 40 5 KJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225176998 571654800 /nfs/dbraw/zinc/65/48/00/571654800.db2.gz YWUDBBWTQKTZNU-MUUNZHRXSA-N 0 0 610.733 4.749 40 5 KJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225177036 571654806 /nfs/dbraw/zinc/65/48/06/571654806.db2.gz YWUDBBWTQKTZNU-NDEPHWFRSA-N 0 0 610.733 4.749 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225177952 571654943 /nfs/dbraw/zinc/65/49/43/571654943.db2.gz SRJCQBBPWCJWGQ-DEOSSOPVSA-N 0 0 579.119 4.579 40 5 KJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225177991 571654901 /nfs/dbraw/zinc/65/49/01/571654901.db2.gz SRJCQBBPWCJWGQ-XMMPIXPASA-N 0 0 579.119 4.579 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225178099 571654964 /nfs/dbraw/zinc/65/49/64/571654964.db2.gz JCTMAMUUTXTGBY-KRWDZBQOSA-N 0 0 502.409 4.766 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225178135 571654981 /nfs/dbraw/zinc/65/49/81/571654981.db2.gz JCTMAMUUTXTGBY-QGZVFWFLSA-N 0 0 502.409 4.766 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225178743 571655024 /nfs/dbraw/zinc/65/50/24/571655024.db2.gz KGDQWPGLKBHKMU-NHCUHLMSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225178784 571655045 /nfs/dbraw/zinc/65/50/45/571655045.db2.gz KGDQWPGLKBHKMU-LEWJYISDSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225178841 571655004 /nfs/dbraw/zinc/65/50/04/571655004.db2.gz QYWLTAQQUWUVGE-NHCUHLMSSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225178885 571655041 /nfs/dbraw/zinc/65/50/41/571655041.db2.gz QYWLTAQQUWUVGE-LEWJYISDSA-N 0 0 587.098 4.776 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225182572 571655403 /nfs/dbraw/zinc/65/54/03/571655403.db2.gz LOBKCWKRAJGGHG-JOCHJYFZSA-N 0 0 614.696 4.580 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225182612 571655435 /nfs/dbraw/zinc/65/54/35/571655435.db2.gz LOBKCWKRAJGGHG-QFIPXVFZSA-N 0 0 614.696 4.580 40 5 KJBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225184359 571655620 /nfs/dbraw/zinc/65/56/20/571655620.db2.gz VFYTVJWXAOGSJA-QFIPXVFZSA-N 0 0 518.010 4.892 40 5 KJBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225184399 571655617 /nfs/dbraw/zinc/65/56/17/571655617.db2.gz VFYTVJWXAOGSJA-JOCHJYFZSA-N 0 0 518.010 4.892 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225197944 571657016 /nfs/dbraw/zinc/65/70/16/571657016.db2.gz QUOKIYUSFOWNLL-KRWDZBQOSA-N 0 0 548.434 4.611 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225197979 571656976 /nfs/dbraw/zinc/65/69/76/571656976.db2.gz QUOKIYUSFOWNLL-QGZVFWFLSA-N 0 0 548.434 4.611 40 5 KJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225199716 571657213 /nfs/dbraw/zinc/65/72/13/571657213.db2.gz YWRSMERNCNZMQG-AREMUKBSSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225199753 571657195 /nfs/dbraw/zinc/65/71/95/571657195.db2.gz YWRSMERNCNZMQG-SANMLTNESA-N 0 0 587.098 4.777 40 5 KJBBRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225199806 571657216 /nfs/dbraw/zinc/65/72/16/571657216.db2.gz SCCQKBUAQRQADP-AREMUKBSSA-N 0 0 587.098 4.777 40 5 KJBBRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225199846 571657205 /nfs/dbraw/zinc/65/72/05/571657205.db2.gz SCCQKBUAQRQADP-SANMLTNESA-N 0 0 587.098 4.777 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225201951 571657389 /nfs/dbraw/zinc/65/73/89/571657389.db2.gz AKOOSDWGFYSRLQ-QGZVFWFLSA-N 0 0 522.465 4.924 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225201989 571657413 /nfs/dbraw/zinc/65/74/13/571657413.db2.gz AKOOSDWGFYSRLQ-KRWDZBQOSA-N 0 0 522.465 4.924 40 5 KJBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225203998 571657632 /nfs/dbraw/zinc/65/76/32/571657632.db2.gz WAUGFIAVADCFCS-KRWDZBQOSA-N 0 0 502.409 4.766 40 5 KJBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225204044 571657638 /nfs/dbraw/zinc/65/76/38/571657638.db2.gz WAUGFIAVADCFCS-QGZVFWFLSA-N 0 0 502.409 4.766 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225206133 571657872 /nfs/dbraw/zinc/65/78/72/571657872.db2.gz KWTYCTCOGWYKIR-OAQYLSRUSA-N 0 0 631.549 4.886 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225206183 571657857 /nfs/dbraw/zinc/65/78/57/571657857.db2.gz KWTYCTCOGWYKIR-NRFANRHFSA-N 0 0 631.549 4.886 40 5 KJBBRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225206246 571657831 /nfs/dbraw/zinc/65/78/31/571657831.db2.gz SUJJQXOJXOJYND-OAQYLSRUSA-N 0 0 631.549 4.886 40 5 KJBBRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225206287 571657875 /nfs/dbraw/zinc/65/78/75/571657875.db2.gz SUJJQXOJXOJYND-NRFANRHFSA-N 0 0 631.549 4.886 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225223223 571659674 /nfs/dbraw/zinc/65/96/74/571659674.db2.gz JOOIVJPMNMDZOF-KRWDZBQOSA-N 0 0 548.434 4.611 40 5 KJBBRN COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000225223265 571659676 /nfs/dbraw/zinc/65/96/76/571659676.db2.gz JOOIVJPMNMDZOF-QGZVFWFLSA-N 0 0 548.434 4.611 40 5 KJBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225223872 571659710 /nfs/dbraw/zinc/65/97/10/571659710.db2.gz SEFPJGNIOWABGD-UIOOFZCWSA-N 0 0 528.594 4.543 40 5 KJBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225223904 571659749 /nfs/dbraw/zinc/65/97/49/571659749.db2.gz SEFPJGNIOWABGD-FTJBHMTQSA-N 0 0 528.594 4.543 40 5 KJBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225223943 571659711 /nfs/dbraw/zinc/65/97/11/571659711.db2.gz SEFPJGNIOWABGD-IZZNHLLZSA-N 0 0 528.594 4.543 40 5 KJBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225223982 571659725 /nfs/dbraw/zinc/65/97/25/571659725.db2.gz SEFPJGNIOWABGD-CLJLJLNGSA-N 0 0 528.594 4.543 40 5 KJBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225224034 571659765 /nfs/dbraw/zinc/65/97/65/571659765.db2.gz MGXPTTRLPALLOB-UIOOFZCWSA-N 0 0 528.594 4.543 40 5 KJBBRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225224075 571659777 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0 594.734 4.534 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225337910 571696272 /nfs/dbraw/zinc/69/62/72/571696272.db2.gz MSQTUDANQZVZNI-HHHXNRCGSA-N 0 0 533.625 4.847 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225337949 571696319 /nfs/dbraw/zinc/69/63/19/571696319.db2.gz MSQTUDANQZVZNI-MHZLTWQESA-N 0 0 533.625 4.847 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225340382 571699530 /nfs/dbraw/zinc/69/95/30/571699530.db2.gz OQBUBHNVOIIMNZ-HUUCEWRRSA-N 0 0 512.390 4.621 40 5 KJBBRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225340416 571699691 /nfs/dbraw/zinc/69/96/91/571699691.db2.gz OQBUBHNVOIIMNZ-LSDHHAIUSA-N 0 0 512.390 4.621 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225340455 571699674 /nfs/dbraw/zinc/69/96/74/571699674.db2.gz 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/nfs/dbraw/zinc/75/47/65/571754765.db2.gz NKOWXVAUPIUGEJ-HHHXNRCGSA-N 0 0 631.151 4.579 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225385797 571754699 /nfs/dbraw/zinc/75/46/99/571754699.db2.gz NKOWXVAUPIUGEJ-MHZLTWQESA-N 0 0 631.151 4.579 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225387979 571757581 /nfs/dbraw/zinc/75/75/81/571757581.db2.gz NZQMRWHWSJAUEO-MUUNZHRXSA-N 0 0 615.152 4.879 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225388020 571757651 /nfs/dbraw/zinc/75/76/51/571757651.db2.gz NZQMRWHWSJAUEO-NDEPHWFRSA-N 0 0 615.152 4.879 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225394998 571764546 /nfs/dbraw/zinc/76/45/46/571764546.db2.gz GKMYUNVBWVBCSG-GOSISDBHSA-N 0 0 623.515 4.577 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225395038 571764517 /nfs/dbraw/zinc/76/45/17/571764517.db2.gz GKMYUNVBWVBCSG-SFHVURJKSA-N 0 0 623.515 4.577 40 5 KJBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000225401898 571771272 /nfs/dbraw/zinc/77/12/72/571771272.db2.gz LETJLYLJPRVZGT-LJAQVGFWSA-N 0 0 610.708 4.589 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225403842 571773226 /nfs/dbraw/zinc/77/32/26/571773226.db2.gz JKNFELPHBMQDGD-LJAQVGFWSA-N 0 0 640.734 4.598 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000225405488 571774429 /nfs/dbraw/zinc/77/44/29/571774429.db2.gz BMZSOOJPVDGVOX-PMERELPUSA-N 0 0 624.735 4.897 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225407640 571776648 /nfs/dbraw/zinc/77/66/48/571776648.db2.gz KSLSXKUJJNRKNO-ZEQRLZLVSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225407679 571776626 /nfs/dbraw/zinc/77/66/26/571776626.db2.gz KSLSXKUJJNRKNO-RPWUZVMVSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225407721 571776554 /nfs/dbraw/zinc/77/65/54/571776554.db2.gz KSLSXKUJJNRKNO-BJKOFHAPSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000225407762 571776644 /nfs/dbraw/zinc/77/66/44/571776644.db2.gz KSLSXKUJJNRKNO-DNQXCXABSA-N 0 0 535.607 4.798 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410837 571778777 /nfs/dbraw/zinc/77/87/77/571778777.db2.gz DBSBEPHDZJXKNR-JWQCQUIFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410880 571779195 /nfs/dbraw/zinc/77/91/95/571779195.db2.gz DBSBEPHDZJXKNR-RPBOFIJWSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410921 571779306 /nfs/dbraw/zinc/77/93/06/571779306.db2.gz DBSBEPHDZJXKNR-LOSJGSFVSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000225410968 571779288 /nfs/dbraw/zinc/77/92/88/571779288.db2.gz DBSBEPHDZJXKNR-DQEYMECFSA-N 0 0 565.633 4.807 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225413831 571781403 /nfs/dbraw/zinc/78/14/03/571781403.db2.gz BILWPMCKSBHCGO-ZEQRLZLVSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225413871 571781294 /nfs/dbraw/zinc/78/12/94/571781294.db2.gz BILWPMCKSBHCGO-RPWUZVMVSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225413918 571781364 /nfs/dbraw/zinc/78/13/64/571781364.db2.gz BILWPMCKSBHCGO-BJKOFHAPSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000225413946 571781246 /nfs/dbraw/zinc/78/12/46/571781246.db2.gz BILWPMCKSBHCGO-DNQXCXABSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225414004 571781795 /nfs/dbraw/zinc/78/17/95/571781795.db2.gz HSRXCDCCGRZJLX-ZEQRLZLVSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225414037 571781892 /nfs/dbraw/zinc/78/18/92/571781892.db2.gz HSRXCDCCGRZJLX-RPWUZVMVSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225414082 571781786 /nfs/dbraw/zinc/78/17/86/571781786.db2.gz HSRXCDCCGRZJLX-BJKOFHAPSA-N 0 0 535.607 4.798 40 5 KJBBRN CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000225414122 571781743 /nfs/dbraw/zinc/78/17/43/571781743.db2.gz HSRXCDCCGRZJLX-DNQXCXABSA-N 0 0 535.607 4.798 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225416616 571783574 /nfs/dbraw/zinc/78/35/74/571783574.db2.gz UXIYNDKNNQHZIT-HHHXNRCGSA-N 0 0 601.125 4.571 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225416662 571783535 /nfs/dbraw/zinc/78/35/35/571783535.db2.gz UXIYNDKNNQHZIT-MHZLTWQESA-N 0 0 601.125 4.571 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225419454 571786869 /nfs/dbraw/zinc/78/68/69/571786869.db2.gz VLUYLRZETWBMEP-HHHXNRCGSA-N 0 0 631.151 4.579 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225419490 571786817 /nfs/dbraw/zinc/78/68/17/571786817.db2.gz VLUYLRZETWBMEP-MHZLTWQESA-N 0 0 631.151 4.579 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225421840 571788762 /nfs/dbraw/zinc/78/87/62/571788762.db2.gz FBSCCDWWVPIEDE-MUUNZHRXSA-N 0 0 615.152 4.879 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225421879 571788855 /nfs/dbraw/zinc/78/88/55/571788855.db2.gz FBSCCDWWVPIEDE-NDEPHWFRSA-N 0 0 615.152 4.879 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225437621 571806603 /nfs/dbraw/zinc/80/66/03/571806603.db2.gz ZIWBJHWJGHCDFZ-DQEYMECFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225437662 571806662 /nfs/dbraw/zinc/80/66/62/571806662.db2.gz ZIWBJHWJGHCDFZ-RPBOFIJWSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225437698 571806521 /nfs/dbraw/zinc/80/65/21/571806521.db2.gz ZIWBJHWJGHCDFZ-LOSJGSFVSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O ZINC000225437735 571806585 /nfs/dbraw/zinc/80/65/85/571806585.db2.gz ZIWBJHWJGHCDFZ-JWQCQUIFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NS(C)(=O)=O ZINC000225440534 571810293 /nfs/dbraw/zinc/81/02/93/571810293.db2.gz JRHSOHSALJILSJ-UIOOFZCWSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NS(C)(=O)=O ZINC000225440584 571810958 /nfs/dbraw/zinc/81/09/58/571810958.db2.gz JRHSOHSALJILSJ-FTJBHMTQSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NS(C)(=O)=O ZINC000225440612 571810988 /nfs/dbraw/zinc/81/09/88/571810988.db2.gz JRHSOHSALJILSJ-IZZNHLLZSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NS(C)(=O)=O ZINC000225440656 571810928 /nfs/dbraw/zinc/81/09/28/571810928.db2.gz JRHSOHSALJILSJ-CLJLJLNGSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225443259 571814536 /nfs/dbraw/zinc/81/45/36/571814536.db2.gz VOBKWSGTIHIXQF-DQEYMECFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225443298 571814650 /nfs/dbraw/zinc/81/46/50/571814650.db2.gz VOBKWSGTIHIXQF-RPBOFIJWSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225443338 571814377 /nfs/dbraw/zinc/81/43/77/571814377.db2.gz VOBKWSGTIHIXQF-LOSJGSFVSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O ZINC000225443381 571814435 /nfs/dbraw/zinc/81/44/35/571814435.db2.gz VOBKWSGTIHIXQF-JWQCQUIFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225443452 571814310 /nfs/dbraw/zinc/81/43/10/571814310.db2.gz ACARZRYPWIWVFT-DQEYMECFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225443483 571814648 /nfs/dbraw/zinc/81/46/48/571814648.db2.gz ACARZRYPWIWVFT-RPBOFIJWSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225443527 571814632 /nfs/dbraw/zinc/81/46/32/571814632.db2.gz ACARZRYPWIWVFT-LOSJGSFVSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O ZINC000225443571 571814503 /nfs/dbraw/zinc/81/45/03/571814503.db2.gz ACARZRYPWIWVFT-JWQCQUIFSA-N 0 0 565.633 4.807 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225447521 571819365 /nfs/dbraw/zinc/81/93/65/571819365.db2.gz CXUKNPOBHRNWAA-HHHXNRCGSA-N 0 0 601.125 4.571 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225447562 571819530 /nfs/dbraw/zinc/81/95/30/571819530.db2.gz CXUKNPOBHRNWAA-MHZLTWQESA-N 0 0 601.125 4.571 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225449975 571821947 /nfs/dbraw/zinc/82/19/47/571821947.db2.gz PNQUPTVVMKTVRN-HHHXNRCGSA-N 0 0 631.151 4.579 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225450006 571821977 /nfs/dbraw/zinc/82/19/77/571821977.db2.gz PNQUPTVVMKTVRN-MHZLTWQESA-N 0 0 631.151 4.579 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225452148 571823410 /nfs/dbraw/zinc/82/34/10/571823410.db2.gz GZWIRXRAWGYLIX-MUUNZHRXSA-N 0 0 615.152 4.879 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225452189 571823521 /nfs/dbraw/zinc/82/35/21/571823521.db2.gz GZWIRXRAWGYLIX-NDEPHWFRSA-N 0 0 615.152 4.879 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225456666 571828203 /nfs/dbraw/zinc/82/82/03/571828203.db2.gz QAGPULMHDKZPEN-GOSISDBHSA-N 0 0 667.966 4.686 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225456698 571828124 /nfs/dbraw/zinc/82/81/24/571828124.db2.gz QAGPULMHDKZPEN-SFHVURJKSA-N 0 0 667.966 4.686 40 5 KJBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O ZINC000225462287 571833547 /nfs/dbraw/zinc/83/35/47/571833547.db2.gz ARMURJYIOVPIOW-DQEYMECFSA-N 0 0 548.650 4.638 40 5 KJBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O ZINC000225462324 571833503 /nfs/dbraw/zinc/83/35/03/571833503.db2.gz ARMURJYIOVPIOW-RPBOFIJWSA-N 0 0 548.650 4.638 40 5 KJBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O ZINC000225462358 571833526 /nfs/dbraw/zinc/83/35/26/571833526.db2.gz ARMURJYIOVPIOW-LOSJGSFVSA-N 0 0 548.650 4.638 40 5 KJBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O ZINC000225462391 571833615 /nfs/dbraw/zinc/83/36/15/571833615.db2.gz ARMURJYIOVPIOW-JWQCQUIFSA-N 0 0 548.650 4.638 40 5 KJBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O ZINC000225462436 571833695 /nfs/dbraw/zinc/83/36/95/571833695.db2.gz HHLNZBOSTGOKSP-DQEYMECFSA-N 0 0 548.650 4.638 40 5 KJBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O ZINC000225462474 571834106 /nfs/dbraw/zinc/83/41/06/571834106.db2.gz HHLNZBOSTGOKSP-RPBOFIJWSA-N 0 0 548.650 4.638 40 5 KJBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O ZINC000225462508 571834042 /nfs/dbraw/zinc/83/40/42/571834042.db2.gz HHLNZBOSTGOKSP-LOSJGSFVSA-N 0 0 548.650 4.638 40 5 KJBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O ZINC000225462549 571834052 /nfs/dbraw/zinc/83/40/52/571834052.db2.gz HHLNZBOSTGOKSP-JWQCQUIFSA-N 0 0 548.650 4.638 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225464691 571835731 /nfs/dbraw/zinc/83/57/31/571835731.db2.gz PSASIUKCVIZUSK-NRFANRHFSA-N 0 0 617.124 4.702 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225464932 571836188 /nfs/dbraw/zinc/83/61/88/571836188.db2.gz PJBZJHBRBCHREE-AJTFRIOCSA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225464965 571836250 /nfs/dbraw/zinc/83/62/50/571836250.db2.gz PJBZJHBRBCHREE-WXVAWEFUSA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225465016 571836348 /nfs/dbraw/zinc/83/63/48/571836348.db2.gz NMPFIPVYFDXBKD-AJTFRIOCSA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225465052 571836293 /nfs/dbraw/zinc/83/62/93/571836293.db2.gz NMPFIPVYFDXBKD-WXVAWEFUSA-N 0 0 566.680 4.512 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225471891 571841877 /nfs/dbraw/zinc/84/18/77/571841877.db2.gz PPBKFKNHLMWURX-QDPGVEIFSA-N 0 0 610.733 4.829 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225471929 571842304 /nfs/dbraw/zinc/84/23/04/571842304.db2.gz PPBKFKNHLMWURX-NEKDWFFYSA-N 0 0 610.733 4.829 40 5 KJBBRN CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225484176 571854725 /nfs/dbraw/zinc/85/47/25/571854725.db2.gz VPOCDZVTPFJSNA-GOSISDBHSA-N 0 0 667.966 4.686 40 5 KJBBRN CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225484215 571854774 /nfs/dbraw/zinc/85/47/74/571854774.db2.gz VPOCDZVTPFJSNA-SFHVURJKSA-N 0 0 667.966 4.686 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225485280 571855663 /nfs/dbraw/zinc/85/56/63/571855663.db2.gz XZHYLTWSYMUQSF-AREMUKBSSA-N 0 0 537.588 4.678 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225485313 571855746 /nfs/dbraw/zinc/85/57/46/571855746.db2.gz XZHYLTWSYMUQSF-SANMLTNESA-N 0 0 537.588 4.678 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490527 571860462 /nfs/dbraw/zinc/86/04/62/571860462.db2.gz UCMUJPZNLVCIFL-DQEYMECFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490561 571860310 /nfs/dbraw/zinc/86/03/10/571860310.db2.gz UCMUJPZNLVCIFL-RPBOFIJWSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490597 571860972 /nfs/dbraw/zinc/86/09/72/571860972.db2.gz UCMUJPZNLVCIFL-LOSJGSFVSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NS(C)(=O)=O ZINC000225490622 571860914 /nfs/dbraw/zinc/86/09/14/571860914.db2.gz UCMUJPZNLVCIFL-JWQCQUIFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NS(C)(=O)=O ZINC000225492991 571862957 /nfs/dbraw/zinc/86/29/57/571862957.db2.gz ADNYTMPIYOPWHP-UIOOFZCWSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NS(C)(=O)=O ZINC000225493019 571863026 /nfs/dbraw/zinc/86/30/26/571863026.db2.gz ADNYTMPIYOPWHP-FTJBHMTQSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NS(C)(=O)=O ZINC000225493039 571863010 /nfs/dbraw/zinc/86/30/10/571863010.db2.gz ADNYTMPIYOPWHP-IZZNHLLZSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NS(C)(=O)=O ZINC000225493056 571862977 /nfs/dbraw/zinc/86/29/77/571862977.db2.gz ADNYTMPIYOPWHP-CLJLJLNGSA-N 0 0 595.659 4.816 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225495275 571865410 /nfs/dbraw/zinc/86/54/10/571865410.db2.gz RMTVPWCDWIFOEI-DQEYMECFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225495310 571865283 /nfs/dbraw/zinc/86/52/83/571865283.db2.gz RMTVPWCDWIFOEI-RPBOFIJWSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225495348 571865304 /nfs/dbraw/zinc/86/53/04/571865304.db2.gz RMTVPWCDWIFOEI-LOSJGSFVSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NS(C)(=O)=O ZINC000225495380 571865186 /nfs/dbraw/zinc/86/51/86/571865186.db2.gz RMTVPWCDWIFOEI-JWQCQUIFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225495424 571865344 /nfs/dbraw/zinc/86/53/44/571865344.db2.gz SKVMWOWLXJRQRX-DQEYMECFSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225495460 571865238 /nfs/dbraw/zinc/86/52/38/571865238.db2.gz SKVMWOWLXJRQRX-RPBOFIJWSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225495497 571865350 /nfs/dbraw/zinc/86/53/50/571865350.db2.gz SKVMWOWLXJRQRX-LOSJGSFVSA-N 0 0 565.633 4.807 40 5 KJBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NS(C)(=O)=O ZINC000225495531 571865428 /nfs/dbraw/zinc/86/54/28/571865428.db2.gz SKVMWOWLXJRQRX-JWQCQUIFSA-N 0 0 565.633 4.807 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225499136 571868601 /nfs/dbraw/zinc/86/86/01/571868601.db2.gz VSYVUWHRDHHMMU-QDPGVEIFSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225499168 571868788 /nfs/dbraw/zinc/86/87/88/571868788.db2.gz VSYVUWHRDHHMMU-NEKDWFFYSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225499209 571868778 /nfs/dbraw/zinc/86/87/78/571868778.db2.gz PFAKEESUCWDDSC-QDPGVEIFSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225499240 571868783 /nfs/dbraw/zinc/86/87/83/571868783.db2.gz PFAKEESUCWDDSC-NEKDWFFYSA-N 0 0 580.707 4.821 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225511741 571882945 /nfs/dbraw/zinc/88/29/45/571882945.db2.gz HPGODCSVWOZYHO-AREMUKBSSA-N 0 0 537.588 4.678 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225511774 571882857 /nfs/dbraw/zinc/88/28/57/571882857.db2.gz HPGODCSVWOZYHO-SANMLTNESA-N 0 0 537.588 4.678 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225517194 571887225 /nfs/dbraw/zinc/88/72/25/571887225.db2.gz FDPDWPYPOPNORD-CLJLJLNGSA-N 0 0 529.578 4.870 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225517210 571887134 /nfs/dbraw/zinc/88/71/34/571887134.db2.gz FDPDWPYPOPNORD-FTJBHMTQSA-N 0 0 529.578 4.870 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225517223 571887153 /nfs/dbraw/zinc/88/71/53/571887153.db2.gz FDPDWPYPOPNORD-IZZNHLLZSA-N 0 0 529.578 4.870 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)o1 ZINC000225517239 571887123 /nfs/dbraw/zinc/88/71/23/571887123.db2.gz FDPDWPYPOPNORD-UIOOFZCWSA-N 0 0 529.578 4.870 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225528978 571895878 /nfs/dbraw/zinc/89/58/78/571895878.db2.gz ZDUYIUPFQCAANZ-HHHXNRCGSA-N 0 0 645.576 4.680 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000225529006 571895881 /nfs/dbraw/zinc/89/58/81/571895881.db2.gz ZDUYIUPFQCAANZ-MHZLTWQESA-N 0 0 645.576 4.680 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225530796 571897608 /nfs/dbraw/zinc/89/76/08/571897608.db2.gz VFHXORXRDVWKAW-HHHXNRCGSA-N 0 0 675.602 4.688 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000225530826 571897745 /nfs/dbraw/zinc/89/77/45/571897745.db2.gz VFHXORXRDVWKAW-MHZLTWQESA-N 0 0 675.602 4.688 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225532649 571899027 /nfs/dbraw/zinc/89/90/27/571899027.db2.gz HOFOHQJSWTWBGD-MUUNZHRXSA-N 0 0 659.603 4.988 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225532662 193967180 /nfs/dbraw/zinc/96/71/80/193967180.db2.gz APLFOJBPKBUOHM-QDPGVEIFSA-N 0 0 580.707 4.821 40 5 KJBBRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225532685 571899000 /nfs/dbraw/zinc/89/90/00/571899000.db2.gz HOFOHQJSWTWBGD-NDEPHWFRSA-N 0 0 659.603 4.988 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225532695 571899011 /nfs/dbraw/zinc/89/90/11/571899011.db2.gz APLFOJBPKBUOHM-NEKDWFFYSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225532743 571899351 /nfs/dbraw/zinc/89/93/51/571899351.db2.gz OCLRGAJOXSTYRK-QDPGVEIFSA-N 0 0 580.707 4.821 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225532776 571899320 /nfs/dbraw/zinc/89/93/20/571899320.db2.gz OCLRGAJOXSTYRK-NEKDWFFYSA-N 0 0 580.707 4.821 40 5 KJBBRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225533956 571899903 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CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225647220 571995928 /nfs/dbraw/zinc/99/59/28/571995928.db2.gz CUYJXFYWPNPTTB-JIPXPUAJSA-N 0 0 584.670 4.651 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225647247 571996086 /nfs/dbraw/zinc/99/60/86/571996086.db2.gz CUYJXFYWPNPTTB-KDYSTLNUSA-N 0 0 584.670 4.651 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225652439 572000054 /nfs/dbraw/zinc/00/00/54/572000054.db2.gz ZJUUDFVONKFAQK-SKCUWOTOSA-N 0 0 628.723 4.968 40 5 KJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225652469 572000124 /nfs/dbraw/zinc/00/01/24/572000124.db2.gz ZJUUDFVONKFAQK-RBISFHTESA-N 0 0 628.723 4.968 40 5 KJBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000225654728 572001917 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CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225661346 572006483 /nfs/dbraw/zinc/00/64/83/572006483.db2.gz LVPABCNCHVKGCV-OAQYLSRUSA-N 0 0 587.098 4.633 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225661375 572006476 /nfs/dbraw/zinc/00/64/76/572006476.db2.gz LVPABCNCHVKGCV-NRFANRHFSA-N 0 0 587.098 4.633 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000225665535 572008998 /nfs/dbraw/zinc/00/89/98/572008998.db2.gz MPWVFIIPHGJZFW-QFIPXVFZSA-N 0 0 631.151 4.950 40 5 KJBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225673267 572014259 /nfs/dbraw/zinc/01/42/59/572014259.db2.gz SPYDYTVCLBACQX-SVBPBHIXSA-N 0 0 542.621 4.790 40 5 KJBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225673297 572014174 /nfs/dbraw/zinc/01/41/74/572014174.db2.gz SPYDYTVCLBACQX-SXOMAYOGSA-N 0 0 542.621 4.790 40 5 KJBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225673321 572014194 /nfs/dbraw/zinc/01/41/94/572014194.db2.gz SPYDYTVCLBACQX-RRPNLBNLSA-N 0 0 542.621 4.790 40 5 KJBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000225673347 572014205 /nfs/dbraw/zinc/01/42/05/572014205.db2.gz SPYDYTVCLBACQX-KAYWLYCHSA-N 0 0 542.621 4.790 40 5 KJBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225673387 572014304 /nfs/dbraw/zinc/01/43/04/572014304.db2.gz JYNKMTPUOHBXFU-SVBPBHIXSA-N 0 0 542.621 4.790 40 5 KJBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225673413 572014267 /nfs/dbraw/zinc/01/42/67/572014267.db2.gz JYNKMTPUOHBXFU-SXOMAYOGSA-N 0 0 542.621 4.790 40 5 KJBBRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000225673442 572014182 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COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000225689843 572025274 /nfs/dbraw/zinc/02/52/74/572025274.db2.gz WWFNXNQDDCKHLY-QFIPXVFZSA-N 0 0 631.151 4.745 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225694492 572027682 /nfs/dbraw/zinc/02/76/82/572027682.db2.gz UPDGTRQWXXEAFU-QGZVFWFLSA-N 0 0 522.465 4.780 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225694520 572028040 /nfs/dbraw/zinc/02/80/40/572028040.db2.gz UPDGTRQWXXEAFU-KRWDZBQOSA-N 0 0 522.465 4.780 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225696716 572029231 /nfs/dbraw/zinc/02/92/31/572029231.db2.gz IKRFDCWFCLYTBL-OAQYLSRUSA-N 0 0 631.549 4.742 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225696740 572029069 /nfs/dbraw/zinc/02/90/69/572029069.db2.gz IKRFDCWFCLYTBL-NRFANRHFSA-N 0 0 631.549 4.742 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225696782 572029134 /nfs/dbraw/zinc/02/91/34/572029134.db2.gz IIELCSAVYHILHT-OAQYLSRUSA-N 0 0 631.549 4.742 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000225696817 572029248 /nfs/dbraw/zinc/02/92/48/572029248.db2.gz IIELCSAVYHILHT-NRFANRHFSA-N 0 0 631.549 4.742 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000225710777 572040473 /nfs/dbraw/zinc/04/04/73/572040473.db2.gz XJOITRRHLOXWMM-VGOFRKELSA-N 0 0 587.526 4.698 40 5 KJBBRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225711733 572041371 /nfs/dbraw/zinc/04/13/71/572041371.db2.gz XEDRVUMVOOUSAN-QGZVFWFLSA-N 0 0 522.465 4.780 40 5 KJBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225711752 572041356 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COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000260913275 571842437 /nfs/dbraw/zinc/84/24/37/571842437.db2.gz YVJKRQJZIQKJBL-JGCGQSQUSA-N 0 0 644.750 4.963 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260913945 571843600 /nfs/dbraw/zinc/84/36/00/571843600.db2.gz GATFNYWAVFWRFV-RPWUZVMVSA-N 0 0 610.733 4.748 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260913946 571843506 /nfs/dbraw/zinc/84/35/06/571843506.db2.gz GATFNYWAVFWRFV-ZEQRLZLVSA-N 0 0 610.733 4.748 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260914640 571844799 /nfs/dbraw/zinc/84/47/99/571844799.db2.gz FQHUDVDIXOZMIM-HHHXNRCGSA-N 0 0 675.602 4.544 40 5 KJBBRN CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000260916624 571848453 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COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260922073 571858484 /nfs/dbraw/zinc/85/84/84/571858484.db2.gz GTDYMCLHFKPXNW-HSZRJFAPSA-N 0 0 610.733 4.748 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260926571 571866938 /nfs/dbraw/zinc/86/69/38/571866938.db2.gz JVFRKZNLCYVMNL-MUUNZHRXSA-N 0 0 615.152 4.735 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260926644 571867100 /nfs/dbraw/zinc/86/71/00/571867100.db2.gz JXIIQWLMQBEDHM-MUUNZHRXSA-N 0 0 615.152 4.735 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260926885 571867520 /nfs/dbraw/zinc/86/75/20/571867520.db2.gz VMNGIKAKSHKONS-XMMPIXPASA-N 0 0 610.733 4.605 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260926894 571867947 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Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260934344 571884263 /nfs/dbraw/zinc/88/42/63/571884263.db2.gz QHXNVOQCBWPLPN-SSEXGKCCSA-N 0 0 624.735 4.897 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260935833 571886341 /nfs/dbraw/zinc/88/63/41/571886341.db2.gz BVYQNOXLQJNPOL-MUUNZHRXSA-N 0 0 643.162 4.722 40 5 KJBBRN COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260936817 571888177 /nfs/dbraw/zinc/88/81/77/571888177.db2.gz MPWVFIIPHGJZFW-JOCHJYFZSA-N 0 0 631.151 4.950 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260937290 571890448 /nfs/dbraw/zinc/89/04/48/571890448.db2.gz IIZDZYAKYQGNJE-FIPFOOKPSA-N 0 0 580.707 4.555 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260937292 571890219 /nfs/dbraw/zinc/89/02/19/571890219.db2.gz IIZDZYAKYQGNJE-LXFBAYGMSA-N 0 0 580.707 4.555 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260939047 571892821 /nfs/dbraw/zinc/89/28/21/571892821.db2.gz ZOTYYLYIMPYKHW-JOCHJYFZSA-N 0 0 631.151 4.950 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260940650 571895948 /nfs/dbraw/zinc/89/59/48/571895948.db2.gz ISNDDUFPOGXZCJ-JTSKRJEESA-N 0 0 587.526 4.698 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260940654 571896027 /nfs/dbraw/zinc/89/60/27/571896027.db2.gz ISNDDUFPOGXZCJ-VGSWGCGISA-N 0 0 587.526 4.698 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260941412 571897562 /nfs/dbraw/zinc/89/75/62/571897562.db2.gz ONOBPFDDIKEYEI-HHHXNRCGSA-N 0 0 675.602 4.544 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260941455 571897699 /nfs/dbraw/zinc/89/76/99/571897699.db2.gz OSQLMJOYWTUWTC-MUUNZHRXSA-N 0 0 615.152 4.735 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260941546 571898684 /nfs/dbraw/zinc/89/86/84/571898684.db2.gz OZNQRBCFYUYYNU-MUUNZHRXSA-N 0 0 659.603 4.844 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260950341 571912826 /nfs/dbraw/zinc/91/28/26/571912826.db2.gz SKRULWHZKXQPIM-MUUNZHRXSA-N 0 0 659.603 4.844 40 5 KJBBRN COc1ccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000260951463 571914583 /nfs/dbraw/zinc/91/45/83/571914583.db2.gz YEWBXTNGZOQGSM-OAQYLSRUSA-N 0 0 525.627 4.910 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260952395 571917387 /nfs/dbraw/zinc/91/73/87/571917387.db2.gz VWGBIQCYGWFJFW-SSEXGKCCSA-N 0 0 636.771 4.767 40 5 KJBBRN CC[C@@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260953217 571917936 /nfs/dbraw/zinc/91/79/36/571917936.db2.gz ZHXISUVQTHHUDR-GCJKJVERSA-N 0 0 505.637 4.766 40 5 KJBBRN CC[C@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260953218 571917814 /nfs/dbraw/zinc/91/78/14/571917814.db2.gz ZHXISUVQTHHUDR-XMSQKQJNSA-N 0 0 505.637 4.766 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260953831 571918713 /nfs/dbraw/zinc/91/87/13/571918713.db2.gz KGDQWPGLKBHKMU-RTWAWAEBSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260953832 571918667 /nfs/dbraw/zinc/91/86/67/571918667.db2.gz KGDQWPGLKBHKMU-SFTDATJTSA-N 0 0 587.098 4.776 40 5 KJBBRN Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 ZINC000260954425 571920617 /nfs/dbraw/zinc/92/06/17/571920617.db2.gz WVJAGHWGDIBVBX-SSEXGKCCSA-N 0 0 606.745 4.758 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260956547 571923177 /nfs/dbraw/zinc/92/31/77/571923177.db2.gz WZDPCFUCELTXGC-SSEXGKCCSA-N 0 0 636.771 4.767 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260957108 571925232 /nfs/dbraw/zinc/92/52/32/571925232.db2.gz GKOGJLQKJJJGCY-AREMUKBSSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260959671 571929677 /nfs/dbraw/zinc/92/96/77/571929677.db2.gz KXMCMJNLAZBXFT-DFHRPNOPSA-N 0 0 596.706 4.521 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000260959673 571929731 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CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260975686 571948429 /nfs/dbraw/zinc/94/84/29/571948429.db2.gz NFOLWHMLGUCXNJ-JTSKRJEESA-N 0 0 587.526 4.698 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000260975691 571948418 /nfs/dbraw/zinc/94/84/18/571948418.db2.gz NFOLWHMLGUCXNJ-VGSWGCGISA-N 0 0 587.526 4.698 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260975865 571949267 /nfs/dbraw/zinc/94/92/67/571949267.db2.gz NITXRPVGYIIZDB-BTYSJIOQSA-N 0 0 640.759 4.838 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000260975868 571949375 /nfs/dbraw/zinc/94/93/75/571949375.db2.gz NITXRPVGYIIZDB-IADCTJSHSA-N 0 0 640.759 4.838 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000260977232 571951023 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CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000261001796 571988948 /nfs/dbraw/zinc/98/89/48/571988948.db2.gz PXWOOLANBUQGLH-MUUNZHRXSA-N 0 0 613.136 4.713 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261003303 571990654 /nfs/dbraw/zinc/99/06/54/571990654.db2.gz FPRWBPRBTZZZQB-RTWAWAEBSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261003304 571990783 /nfs/dbraw/zinc/99/07/83/571990783.db2.gz FPRWBPRBTZZZQB-SFTDATJTSA-N 0 0 587.098 4.776 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261004864 571993168 /nfs/dbraw/zinc/99/31/68/571993168.db2.gz FSKMLVXTUGKATQ-IDISGSTGSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261004866 571993126 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CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261063725 572064769 /nfs/dbraw/zinc/06/47/69/572064769.db2.gz OGBJXNCTHMNTSZ-GIGWZHCTSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261063726 572064716 /nfs/dbraw/zinc/06/47/16/572064716.db2.gz OGBJXNCTHMNTSZ-OUTSHDOLSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261068230 572068014 /nfs/dbraw/zinc/06/80/14/572068014.db2.gz PERZVHIAIGFPSN-RTWAWAEBSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000261068235 572067974 /nfs/dbraw/zinc/06/79/74/572067974.db2.gz PERZVHIAIGFPSN-SFTDATJTSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261069262 572068451 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CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261078476 572074318 /nfs/dbraw/zinc/07/43/18/572074318.db2.gz QVVLTBJHULYXSV-DWACAAAGSA-N 0 0 659.603 4.987 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261078555 572074615 /nfs/dbraw/zinc/07/46/15/572074615.db2.gz QYDVAPQJFMUNQZ-VXKWHMMOSA-N 0 0 614.696 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000261078556 572074658 /nfs/dbraw/zinc/07/46/58/572074658.db2.gz QYDVAPQJFMUNQZ-YADHBBJMSA-N 0 0 614.696 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261080047 572074849 /nfs/dbraw/zinc/07/48/49/572074849.db2.gz REJOKSJSXRUOPJ-DFHRPNOPSA-N 0 0 659.603 4.987 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261080049 572075365 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CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261090237 572080673 /nfs/dbraw/zinc/08/06/73/572080673.db2.gz TVQDTPXLKWSTRZ-RTWAWAEBSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261090238 572080747 /nfs/dbraw/zinc/08/07/47/572080747.db2.gz TVQDTPXLKWSTRZ-SFTDATJTSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261091308 572081676 /nfs/dbraw/zinc/08/16/76/572081676.db2.gz UCQSYVRDUWJZNL-DFHRPNOPSA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261091309 572081592 /nfs/dbraw/zinc/08/15/92/572081592.db2.gz UCQSYVRDUWJZNL-DWACAAAGSA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261109046 572093917 /nfs/dbraw/zinc/09/39/17/572093917.db2.gz XOENWSRKTLMFES-IDISGSTGSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000261109048 572094021 /nfs/dbraw/zinc/09/40/21/572094021.db2.gz XOENWSRKTLMFES-ZBLYBZFDSA-N 0 0 601.125 4.569 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261110343 572094440 /nfs/dbraw/zinc/09/44/40/572094440.db2.gz XQMOAIPRZISSFY-IDISGSTGSA-N 0 0 675.602 4.687 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261110344 572094279 /nfs/dbraw/zinc/09/42/79/572094279.db2.gz XQMOAIPRZISSFY-ZBLYBZFDSA-N 0 0 675.602 4.687 40 5 KJBBRN Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000261110359 572094457 /nfs/dbraw/zinc/09/44/57/572094457.db2.gz XRJGVALTYYPZAD-MUUNZHRXSA-N 0 0 594.734 4.532 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261110368 572094281 /nfs/dbraw/zinc/09/42/81/572094281.db2.gz XRVMVUJXZIRPBV-IDISGSTGSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261110372 572094294 /nfs/dbraw/zinc/09/42/94/572094294.db2.gz XRVMVUJXZIRPBV-ZBLYBZFDSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261113480 572096396 /nfs/dbraw/zinc/09/63/96/572096396.db2.gz YFJRWEOTQPBOPI-RTWAWAEBSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000261113485 572096388 /nfs/dbraw/zinc/09/63/88/572096388.db2.gz YFJRWEOTQPBOPI-SFTDATJTSA-N 0 0 631.549 4.885 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261121970 572100721 /nfs/dbraw/zinc/10/07/21/572100721.db2.gz ZIHSFJJQZKXPED-DFHRPNOPSA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000261121973 572100642 /nfs/dbraw/zinc/10/06/42/572100642.db2.gz ZIHSFJJQZKXPED-DWACAAAGSA-N 0 0 615.152 4.877 40 5 KJBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261126030 572102812 /nfs/dbraw/zinc/10/28/12/572102812.db2.gz ZYVUAYLIQHMXKS-IDISGSTGSA-N 0 0 631.151 4.578 40 5 KJBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000261126032 572102809 /nfs/dbraw/zinc/10/28/09/572102809.db2.gz ZYVUAYLIQHMXKS-ZBLYBZFDSA-N 0 0 631.151 4.578 40 5 KJBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000261361974 572103910 /nfs/dbraw/zinc/10/39/10/572103910.db2.gz BNKGJXJRDQLQQB-DEOSSOPVSA-O 0 0 504.548 4.639 40 5 KJBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000261361975 572103549 /nfs/dbraw/zinc/10/35/49/572103549.db2.gz BNKGJXJRDQLQQB-XMMPIXPASA-O 0 0 504.548 4.639 40 5 KJBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000261363920 572105832 /nfs/dbraw/zinc/10/58/32/572105832.db2.gz IMOCSUPAJDQYPY-HSZRJFAPSA-O 0 0 524.966 4.984 40 5 KJBBRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000261363921 572105765 /nfs/dbraw/zinc/10/57/65/572105765.db2.gz IMOCSUPAJDQYPY-QHCPKHFHSA-O 0 0 524.966 4.984 40 5 KJBBRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261364560 572106868 /nfs/dbraw/zinc/10/68/68/572106868.db2.gz MFBBLFSJMPILPW-DEOSSOPVSA-O 0 0 504.548 4.720 40 5 KJBBRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000261364561 572106838 /nfs/dbraw/zinc/10/68/38/572106838.db2.gz MFBBLFSJMPILPW-XMMPIXPASA-O 0 0 504.548 4.720 40 5 KJBBRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)cc([N+](=O)[O-])c1OC(C)=O ZINC000261365103 572107256 /nfs/dbraw/zinc/10/72/56/572107256.db2.gz QCRNNSSJGUEQQF-AREMUKBSSA-O 0 0 568.632 4.565 40 5 KJBBRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)cc([N+](=O)[O-])c1OC(C)=O ZINC000261365104 572107414 /nfs/dbraw/zinc/10/74/14/572107414.db2.gz QCRNNSSJGUEQQF-SANMLTNESA-O 0 0 568.632 4.565 40 5 KJBBRN O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000263610187 1066515025 /nfs/dbraw/zinc/51/50/25/1066515025.db2.gz VXHVNMJAGDGKPI-ATIZSFMBSA-N 0 0 760.577 4.899 40 5 KJBBRN O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000263610188 1066514997 /nfs/dbraw/zinc/51/49/97/1066514997.db2.gz VXHVNMJAGDGKPI-GOGZTAQTSA-N 0 0 760.577 4.899 40 5 KJBBRN O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000263610189 1066515032 /nfs/dbraw/zinc/51/50/32/1066515032.db2.gz VXHVNMJAGDGKPI-VZNYXHRGSA-N 0 0 760.577 4.899 40 5 KJBBRN O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000263610190 1066515055 /nfs/dbraw/zinc/51/50/55/1066515055.db2.gz VXHVNMJAGDGKPI-ZXYZSCNASA-N 0 0 760.577 4.899 40 5 KJBBRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000328972601 572147251 /nfs/dbraw/zinc/14/72/51/572147251.db2.gz DVPOPKLONSBQHO-IBGZPJMESA-N 0 0 507.469 5.131 40 5 KJBBRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000328972602 572147283 /nfs/dbraw/zinc/14/72/83/572147283.db2.gz DVPOPKLONSBQHO-LJQANCHMSA-N 0 0 507.469 5.131 40 5 KJBBRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000408530607 572172278 /nfs/dbraw/zinc/17/22/78/572172278.db2.gz MSWXDOCJQSACKZ-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C1=O ZINC000408531025 572173834 /nfs/dbraw/zinc/17/38/34/572173834.db2.gz KBXXULMLSWJDBM-UHFFFAOYSA-N 0 0 526.509 4.860 40 5 KJBBRN COc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541754 572209221 /nfs/dbraw/zinc/20/92/21/572209221.db2.gz HMMACJFSFSSXNI-ONUIUJJFSA-N 0 0 570.602 4.901 40 5 KJBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408542656 572210700 /nfs/dbraw/zinc/21/07/00/572210700.db2.gz KMWAUTLXACDBGU-UHFFFAOYSA-N 0 0 638.504 4.849 40 5 KJBBRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408544301 572215285 /nfs/dbraw/zinc/21/52/85/572215285.db2.gz FUVAPWDCJGMTKG-UHFFFAOYSA-N 0 0 519.164 4.886 40 5 KJBBRN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408544960 572217386 /nfs/dbraw/zinc/21/73/86/572217386.db2.gz JWUMFABWOAZVTM-UHFFFAOYSA-N 0 0 557.847 4.699 40 5 KJBBRN Cn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cc(Br)ccc1O ZINC000408544963 572217310 /nfs/dbraw/zinc/21/73/10/572217310.db2.gz WHZZAAMECCLHEA-UHFFFAOYSA-N 0 0 533.191 4.896 40 5 KJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2)cc1OC ZINC000408546521 572223325 /nfs/dbraw/zinc/22/33/25/572223325.db2.gz FBKCUTLIZSKKBO-UHFFFAOYSA-N 0 0 524.477 4.827 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408549850 572232452 /nfs/dbraw/zinc/23/24/52/572232452.db2.gz AFRARTSQAXNDGB-FYJGNVAPSA-N 0 0 590.452 4.994 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCCC1 ZINC000408549871 572232853 /nfs/dbraw/zinc/23/28/53/572232853.db2.gz APXFAFQNOVUHOI-UDWIEESQSA-N 0 0 546.399 4.595 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O)N1CCCC1 ZINC000408549919 572232886 /nfs/dbraw/zinc/23/28/86/572232886.db2.gz BOJIQITZNNCANY-BUVRLJJBSA-N 0 0 517.563 4.986 40 5 KJBBRN Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408549976 572232756 /nfs/dbraw/zinc/23/27/56/572232756.db2.gz CJQBXVJUNSELDK-OEAKJJBVSA-N 0 0 504.568 4.565 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408550072 572233281 /nfs/dbraw/zinc/23/32/81/572233281.db2.gz DFSBHBYSKWKPSD-SRZZPIQSSA-N 0 0 576.425 4.604 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408550568 572234298 /nfs/dbraw/zinc/23/42/98/572234298.db2.gz IBVFNVUTHBUFCN-UDWIEESQSA-N 0 0 576.425 4.604 40 5 KJBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-] ZINC000408551768 572236837 /nfs/dbraw/zinc/23/68/37/572236837.db2.gz ITZHIUCANWGFQR-UHFFFAOYSA-N 0 0 509.462 4.740 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCC1 ZINC000408551959 572237282 /nfs/dbraw/zinc/23/72/82/572237282.db2.gz PSQOWJKEPNXGAY-UDWIEESQSA-N 0 0 546.399 4.595 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O)N1CCCC1 ZINC000408551960 572237371 /nfs/dbraw/zinc/23/73/71/572237371.db2.gz PTFDQDATCGLTEZ-BUVRLJJBSA-N 0 0 517.563 4.986 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408552054 572237255 /nfs/dbraw/zinc/23/72/55/572237255.db2.gz RPXXWYVAYUPHCG-UDWIEESQSA-N 0 0 576.425 4.604 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408552311 572238108 /nfs/dbraw/zinc/23/81/08/572238108.db2.gz LRUYOYRALABPDT-UHFFFAOYSA-N 0 0 509.462 4.740 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408552356 572238072 /nfs/dbraw/zinc/23/80/72/572238072.db2.gz RXOHJTPOQUKUFZ-FYJGNVAPSA-N 0 0 546.001 4.885 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408552363 572238320 /nfs/dbraw/zinc/23/83/20/572238320.db2.gz SACWIDKDOIVYGH-FYJGNVAPSA-N 0 0 637.452 4.836 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000408552386 572238158 /nfs/dbraw/zinc/23/81/58/572238158.db2.gz SNHNFKUCRGGOHH-WSDLNYQXSA-N 0 0 590.452 4.994 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408553091 572239822 /nfs/dbraw/zinc/23/98/22/572239822.db2.gz XAZJQADHKJRBKH-FYJGNVAPSA-N 0 0 546.001 4.885 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408553408 572240649 /nfs/dbraw/zinc/24/06/49/572240649.db2.gz YTHFUOHZUHLSJW-WSDLNYQXSA-N 0 0 590.452 4.994 40 5 KJBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408558497 572245814 /nfs/dbraw/zinc/24/58/14/572245814.db2.gz ROMBRIXBWIMHAP-UHFFFAOYSA-N 0 0 533.322 4.838 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000408560567 572247553 /nfs/dbraw/zinc/24/75/53/572247553.db2.gz DJXBHZSOVGFTRR-UHFFFAOYSA-N 0 0 515.975 4.716 40 5 KJBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)cccc1[N+](=O)[O-] ZINC000408562436 572248857 /nfs/dbraw/zinc/24/88/57/572248857.db2.gz PMJMBWFEPXFKNY-UHFFFAOYSA-N 0 0 515.975 4.716 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563518 572249448 /nfs/dbraw/zinc/24/94/48/572249448.db2.gz ARQNMEBSMKUFGF-FODJJAHYSA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563519 572249453 /nfs/dbraw/zinc/24/94/53/572249453.db2.gz ARQNMEBSMKUFGF-GJECAEJISA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563520 572249450 /nfs/dbraw/zinc/24/94/50/572249450.db2.gz ARQNMEBSMKUFGF-SQOVJYTMSA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563521 572249582 /nfs/dbraw/zinc/24/95/82/572249582.db2.gz ARQNMEBSMKUFGF-ZNCVFPSASA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563818 572249809 /nfs/dbraw/zinc/24/98/09/572249809.db2.gz AYYWOOUFYQWLDT-FODJJAHYSA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563820 572249823 /nfs/dbraw/zinc/24/98/23/572249823.db2.gz AYYWOOUFYQWLDT-GJECAEJISA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563823 572249848 /nfs/dbraw/zinc/24/98/48/572249848.db2.gz AYYWOOUFYQWLDT-SQOVJYTMSA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563826 572249863 /nfs/dbraw/zinc/24/98/63/572249863.db2.gz AYYWOOUFYQWLDT-ZNCVFPSASA-N 0 0 556.388 4.698 40 5 KJBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Br)cc1 ZINC000408563926 572250136 /nfs/dbraw/zinc/25/01/36/572250136.db2.gz BNOYWARKQMEOGE-LNXUECGXSA-N 0 0 522.399 4.858 40 5 KJBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Br)cc1 ZINC000408563927 572250180 /nfs/dbraw/zinc/25/01/80/572250180.db2.gz BNOYWARKQMEOGE-VFHOHQAYSA-N 0 0 522.399 4.858 40 5 KJBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Br)cc1 ZINC000408563930 572250150 /nfs/dbraw/zinc/25/01/50/572250150.db2.gz BNOYWARKQMEOGE-YLORPAJWSA-N 0 0 522.399 4.858 40 5 KJBBRN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)C3[N+](=O)[O-])cc2Br)cc1 ZINC000408563933 572250168 /nfs/dbraw/zinc/25/01/68/572250168.db2.gz BNOYWARKQMEOGE-YQIFXUADSA-N 0 0 522.399 4.858 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@H]1CCCN12 ZINC000408564716 572250901 /nfs/dbraw/zinc/25/09/01/572250901.db2.gz FEKMAXILYOVRBB-AWTIUKJOSA-N 0 0 579.407 4.991 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408564717 572250920 /nfs/dbraw/zinc/25/09/20/572250920.db2.gz FEKMAXILYOVRBB-TUPPOGIXSA-N 0 0 579.407 4.991 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408564718 572250782 /nfs/dbraw/zinc/25/07/82/572250782.db2.gz FEKMAXILYOVRBB-UQBYDPJISA-N 0 0 579.407 4.991 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@H]1CCCN12 ZINC000408564719 572250755 /nfs/dbraw/zinc/25/07/55/572250755.db2.gz FEKMAXILYOVRBB-YUHKXCSQSA-N 0 0 579.407 4.991 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564722 572250817 /nfs/dbraw/zinc/25/08/17/572250817.db2.gz FHGDRBVJPFVJJH-FODJJAHYSA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564723 572250931 /nfs/dbraw/zinc/25/09/31/572250931.db2.gz FHGDRBVJPFVJJH-GJECAEJISA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564724 572250787 /nfs/dbraw/zinc/25/07/87/572250787.db2.gz FHGDRBVJPFVJJH-SQOVJYTMSA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564725 572250792 /nfs/dbraw/zinc/25/07/92/572250792.db2.gz FHGDRBVJPFVJJH-ZNCVFPSASA-N 0 0 511.937 4.589 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564728 572250869 /nfs/dbraw/zinc/25/08/69/572250869.db2.gz FLERSMAOVXBKHZ-IPEONRORSA-N 0 0 525.964 4.979 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564729 572250895 /nfs/dbraw/zinc/25/08/95/572250895.db2.gz FLERSMAOVXBKHZ-OTGIWPJISA-N 0 0 525.964 4.979 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564730 572250871 /nfs/dbraw/zinc/25/08/71/572250871.db2.gz FLERSMAOVXBKHZ-STNVRERYSA-N 0 0 525.964 4.979 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564731 572250852 /nfs/dbraw/zinc/25/08/52/572250852.db2.gz FLERSMAOVXBKHZ-YJIIWGRFSA-N 0 0 525.964 4.979 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564913 572251340 /nfs/dbraw/zinc/25/13/40/572251340.db2.gz GKGDPRJAPXPMLT-LNXUECGXSA-N 0 0 538.398 4.559 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564914 572251315 /nfs/dbraw/zinc/25/13/15/572251315.db2.gz GKGDPRJAPXPMLT-VFHOHQAYSA-N 0 0 538.398 4.559 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564915 572251199 /nfs/dbraw/zinc/25/11/99/572251199.db2.gz GKGDPRJAPXPMLT-YLORPAJWSA-N 0 0 538.398 4.559 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564916 572251270 /nfs/dbraw/zinc/25/12/70/572251270.db2.gz GKGDPRJAPXPMLT-YQIFXUADSA-N 0 0 538.398 4.559 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565154 572251824 /nfs/dbraw/zinc/25/18/24/572251824.db2.gz IBYFFEDPEWMCAI-AWTIUKJOSA-N 0 0 534.956 4.882 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565155 572251851 /nfs/dbraw/zinc/25/18/51/572251851.db2.gz IBYFFEDPEWMCAI-TUPPOGIXSA-N 0 0 534.956 4.882 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565156 572251808 /nfs/dbraw/zinc/25/18/08/572251808.db2.gz IBYFFEDPEWMCAI-UQBYDPJISA-N 0 0 534.956 4.882 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565157 572251763 /nfs/dbraw/zinc/25/17/63/572251763.db2.gz IBYFFEDPEWMCAI-YUHKXCSQSA-N 0 0 534.956 4.882 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565227 572252096 /nfs/dbraw/zinc/25/20/96/572252096.db2.gz IZOBXDOSXJZXBG-DPQOWFAMSA-N 0 0 526.362 4.689 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565228 572252092 /nfs/dbraw/zinc/25/20/92/572252092.db2.gz IZOBXDOSXJZXBG-DVKBMCPXSA-N 0 0 526.362 4.689 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565230 572252137 /nfs/dbraw/zinc/25/21/37/572252137.db2.gz IZOBXDOSXJZXBG-FMNCTDSISA-N 0 0 526.362 4.689 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565233 572252041 /nfs/dbraw/zinc/25/20/41/572252041.db2.gz IZOBXDOSXJZXBG-MQVPCNEGSA-N 0 0 526.362 4.689 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565318 572252445 /nfs/dbraw/zinc/25/24/45/572252445.db2.gz JRMUFPCPRNAIHS-KNHXXRFOSA-N 0 0 509.562 4.949 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565320 572252493 /nfs/dbraw/zinc/25/24/93/572252493.db2.gz JRMUFPCPRNAIHS-PMEHDDBTSA-N 0 0 509.562 4.949 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565322 572252439 /nfs/dbraw/zinc/25/24/39/572252439.db2.gz JRMUFPCPRNAIHS-TVHSXNCYSA-N 0 0 509.562 4.949 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565324 572252501 /nfs/dbraw/zinc/25/25/01/572252501.db2.gz JRMUFPCPRNAIHS-ZSNHWWIQSA-N 0 0 509.562 4.949 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565395 572252611 /nfs/dbraw/zinc/25/26/11/572252611.db2.gz KGXPSFGKSPJRAS-BYGVMDBSSA-N 0 0 552.425 4.949 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565396 572252560 /nfs/dbraw/zinc/25/25/60/572252560.db2.gz KGXPSFGKSPJRAS-DNKZPPIMSA-N 0 0 552.425 4.949 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565397 572252528 /nfs/dbraw/zinc/25/25/28/572252528.db2.gz KGXPSFGKSPJRAS-UYDITSSVSA-N 0 0 552.425 4.949 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565398 572252694 /nfs/dbraw/zinc/25/26/94/572252694.db2.gz KGXPSFGKSPJRAS-YDOVEJIGSA-N 0 0 552.425 4.949 40 5 KJBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OC ZINC000408565644 572252877 /nfs/dbraw/zinc/25/28/77/572252877.db2.gz CQFKABJELOAODO-IBGZPJMESA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OC ZINC000408565645 572252914 /nfs/dbraw/zinc/25/29/14/572252914.db2.gz CQFKABJELOAODO-LJQANCHMSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566060 572253348 /nfs/dbraw/zinc/25/33/48/572253348.db2.gz MSSAOKWENSQKQU-BYGVMDBSSA-N 0 0 525.964 4.979 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566063 572253444 /nfs/dbraw/zinc/25/34/44/572253444.db2.gz MSSAOKWENSQKQU-DNKZPPIMSA-N 0 0 525.964 4.979 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566064 572253461 /nfs/dbraw/zinc/25/34/61/572253461.db2.gz MSSAOKWENSQKQU-UYDITSSVSA-N 0 0 525.964 4.979 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566068 572253429 /nfs/dbraw/zinc/25/34/29/572253429.db2.gz MSSAOKWENSQKQU-YDOVEJIGSA-N 0 0 525.964 4.979 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566071 572253472 /nfs/dbraw/zinc/25/34/72/572253472.db2.gz MTGIBFHAPQTTMW-BYGVMDBSSA-N 0 0 552.425 4.867 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566075 572253504 /nfs/dbraw/zinc/25/35/04/572253504.db2.gz MTGIBFHAPQTTMW-DNKZPPIMSA-N 0 0 552.425 4.867 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566077 572253418 /nfs/dbraw/zinc/25/34/18/572253418.db2.gz MTGIBFHAPQTTMW-UYDITSSVSA-N 0 0 552.425 4.867 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566079 572253477 /nfs/dbraw/zinc/25/34/77/572253477.db2.gz MTGIBFHAPQTTMW-YDOVEJIGSA-N 0 0 552.425 4.867 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566265 572253522 /nfs/dbraw/zinc/25/35/22/572253522.db2.gz NKSPKXBOOFLQSD-FBQMUFCQSA-N 0 0 552.425 4.949 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566267 572253642 /nfs/dbraw/zinc/25/36/42/572253642.db2.gz NKSPKXBOOFLQSD-FESMNKHTSA-N 0 0 552.425 4.949 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566272 572253582 /nfs/dbraw/zinc/25/35/82/572253582.db2.gz NKSPKXBOOFLQSD-OICBGKIFSA-N 0 0 552.425 4.949 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566276 572253632 /nfs/dbraw/zinc/25/36/32/572253632.db2.gz NKSPKXBOOFLQSD-QOAWAWRESA-N 0 0 552.425 4.949 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566340 572253752 /nfs/dbraw/zinc/25/37/52/572253752.db2.gz NPUUAULHYXVJMM-JHMXWDHMSA-N 0 0 508.372 4.550 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566341 572253746 /nfs/dbraw/zinc/25/37/46/572253746.db2.gz NPUUAULHYXVJMM-PBXXJUDPSA-N 0 0 508.372 4.550 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566342 572253741 /nfs/dbraw/zinc/25/37/41/572253741.db2.gz NPUUAULHYXVJMM-QFZRFWILSA-N 0 0 508.372 4.550 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566346 572253686 /nfs/dbraw/zinc/25/36/86/572253686.db2.gz NPUUAULHYXVJMM-XRODADMRSA-N 0 0 508.372 4.550 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566397 572253736 /nfs/dbraw/zinc/25/37/36/572253736.db2.gz NTNHMRXDRBXRPS-FBQMUFCQSA-N 0 0 507.974 4.840 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566400 572253749 /nfs/dbraw/zinc/25/37/49/572253749.db2.gz NTNHMRXDRBXRPS-FESMNKHTSA-N 0 0 507.974 4.840 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566402 572253731 /nfs/dbraw/zinc/25/37/31/572253731.db2.gz NTNHMRXDRBXRPS-OICBGKIFSA-N 0 0 507.974 4.840 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566404 572253682 /nfs/dbraw/zinc/25/36/82/572253682.db2.gz NTNHMRXDRBXRPS-QOAWAWRESA-N 0 0 507.974 4.840 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566420 572253767 /nfs/dbraw/zinc/25/37/67/572253767.db2.gz NXBBDFKARBLFHU-DPQOWFAMSA-N 0 0 526.362 4.689 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566422 572253701 /nfs/dbraw/zinc/25/37/01/572253701.db2.gz NXBBDFKARBLFHU-DVKBMCPXSA-N 0 0 526.362 4.689 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566424 572253710 /nfs/dbraw/zinc/25/37/10/572253710.db2.gz NXBBDFKARBLFHU-FMNCTDSISA-N 0 0 526.362 4.689 40 5 KJBBRN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566426 572253720 /nfs/dbraw/zinc/25/37/20/572253720.db2.gz NXBBDFKARBLFHU-MQVPCNEGSA-N 0 0 526.362 4.689 40 5 KJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OC ZINC000408566600 572253841 /nfs/dbraw/zinc/25/38/41/572253841.db2.gz FRVPWIUCWMWSQX-GOSISDBHSA-N 0 0 511.373 4.995 40 5 KJBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OC ZINC000408566603 572253833 /nfs/dbraw/zinc/25/38/33/572253833.db2.gz FRVPWIUCWMWSQX-SFHVURJKSA-N 0 0 511.373 4.995 40 5 KJBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567148 572254165 /nfs/dbraw/zinc/25/41/65/572254165.db2.gz PZGYAVFWGPEYKG-BBFXTFFKSA-N 0 0 609.433 4.999 40 5 KJBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567150 572254180 /nfs/dbraw/zinc/25/41/80/572254180.db2.gz PZGYAVFWGPEYKG-BQGAEBSMSA-N 0 0 609.433 4.999 40 5 KJBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567152 572254172 /nfs/dbraw/zinc/25/41/72/572254172.db2.gz PZGYAVFWGPEYKG-NUWWLQTNSA-N 0 0 609.433 4.999 40 5 KJBBRN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567155 572254159 /nfs/dbraw/zinc/25/41/59/572254159.db2.gz PZGYAVFWGPEYKG-XABOBXATSA-N 0 0 609.433 4.999 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567196 572254242 /nfs/dbraw/zinc/25/42/42/572254242.db2.gz QGIOPEOMPFKHAZ-BQVXCWBNSA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567198 572254253 /nfs/dbraw/zinc/25/42/53/572254253.db2.gz QGIOPEOMPFKHAZ-CIHKJSBTSA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567200 572254262 /nfs/dbraw/zinc/25/42/62/572254262.db2.gz QGIOPEOMPFKHAZ-CNBSGPCYSA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567202 572254351 /nfs/dbraw/zinc/25/43/51/572254351.db2.gz QGIOPEOMPFKHAZ-NLRIEGLYSA-N 0 0 556.388 4.698 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569333 572255556 /nfs/dbraw/zinc/25/55/56/572255556.db2.gz VRHMBRWPVPKASW-AWTIUKJOSA-N 0 0 534.956 4.882 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569334 572255602 /nfs/dbraw/zinc/25/56/02/572255602.db2.gz VRHMBRWPVPKASW-TUPPOGIXSA-N 0 0 534.956 4.882 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569337 572255657 /nfs/dbraw/zinc/25/56/57/572255657.db2.gz VRHMBRWPVPKASW-UQBYDPJISA-N 0 0 534.956 4.882 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569338 572255620 /nfs/dbraw/zinc/25/56/20/572255620.db2.gz VRHMBRWPVPKASW-YUHKXCSQSA-N 0 0 534.956 4.882 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569387 572255574 /nfs/dbraw/zinc/25/55/74/572255574.db2.gz WHSGSRILYXEQJE-FODJJAHYSA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569388 572255582 /nfs/dbraw/zinc/25/55/82/572255582.db2.gz WHSGSRILYXEQJE-GJECAEJISA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569389 572255596 /nfs/dbraw/zinc/25/55/96/572255596.db2.gz WHSGSRILYXEQJE-SQOVJYTMSA-N 0 0 556.388 4.698 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569390 572255588 /nfs/dbraw/zinc/25/55/88/572255588.db2.gz WHSGSRILYXEQJE-ZNCVFPSASA-N 0 0 556.388 4.698 40 5 KJBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408569611 572255883 /nfs/dbraw/zinc/25/58/83/572255883.db2.gz JVMZGMWHAKOHBE-IBGZPJMESA-N 0 0 511.373 4.995 40 5 KJBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408569612 572255905 /nfs/dbraw/zinc/25/59/05/572255905.db2.gz JVMZGMWHAKOHBE-LJQANCHMSA-N 0 0 511.373 4.995 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569679 572255852 /nfs/dbraw/zinc/25/58/52/572255852.db2.gz WYCSEMJVUFPFJG-BYGVMDBSSA-N 0 0 507.974 4.840 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569680 572255820 /nfs/dbraw/zinc/25/58/20/572255820.db2.gz WYCSEMJVUFPFJG-DNKZPPIMSA-N 0 0 507.974 4.840 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569682 572255896 /nfs/dbraw/zinc/25/58/96/572255896.db2.gz WYCSEMJVUFPFJG-UYDITSSVSA-N 0 0 507.974 4.840 40 5 KJBBRN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569683 572255842 /nfs/dbraw/zinc/25/58/42/572255842.db2.gz WYCSEMJVUFPFJG-YDOVEJIGSA-N 0 0 507.974 4.840 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569711 572256042 /nfs/dbraw/zinc/25/60/42/572256042.db2.gz XDGGIHRXLRKHIG-FODJJAHYSA-N 0 0 538.398 4.559 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569712 572256040 /nfs/dbraw/zinc/25/60/40/572256040.db2.gz XDGGIHRXLRKHIG-GJECAEJISA-N 0 0 538.398 4.559 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569713 572256087 /nfs/dbraw/zinc/25/60/87/572256087.db2.gz XDGGIHRXLRKHIG-SQOVJYTMSA-N 0 0 538.398 4.559 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569714 572256068 /nfs/dbraw/zinc/25/60/68/572256068.db2.gz XDGGIHRXLRKHIG-ZNCVFPSASA-N 0 0 538.398 4.559 40 5 KJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000408569856 572256066 /nfs/dbraw/zinc/25/60/66/572256066.db2.gz JZAJVKRUEQCBQA-IBGZPJMESA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000408569857 572256090 /nfs/dbraw/zinc/25/60/90/572256090.db2.gz JZAJVKRUEQCBQA-LJQANCHMSA-N 0 0 523.409 4.864 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408570021 572256147 /nfs/dbraw/zinc/25/61/47/572256147.db2.gz YDRUWFYXFRJNPI-AWTIUKJOSA-N 0 0 579.407 4.991 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408570023 572256225 /nfs/dbraw/zinc/25/62/25/572256225.db2.gz YDRUWFYXFRJNPI-TUPPOGIXSA-N 0 0 579.407 4.991 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408570024 572256236 /nfs/dbraw/zinc/25/62/36/572256236.db2.gz YDRUWFYXFRJNPI-UQBYDPJISA-N 0 0 579.407 4.991 40 5 KJBBRN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408570026 572256179 /nfs/dbraw/zinc/25/61/79/572256179.db2.gz YDRUWFYXFRJNPI-YUHKXCSQSA-N 0 0 579.407 4.991 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570092 572256350 /nfs/dbraw/zinc/25/63/50/572256350.db2.gz YULBYGWGLJFEKZ-BQVXCWBNSA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570093 572256294 /nfs/dbraw/zinc/25/62/94/572256294.db2.gz YULBYGWGLJFEKZ-CIHKJSBTSA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570094 572256371 /nfs/dbraw/zinc/25/63/71/572256371.db2.gz YULBYGWGLJFEKZ-CNBSGPCYSA-N 0 0 511.937 4.589 40 5 KJBBRN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570095 572256334 /nfs/dbraw/zinc/25/63/34/572256334.db2.gz YULBYGWGLJFEKZ-NLRIEGLYSA-N 0 0 511.937 4.589 40 5 KJBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000408570859 572256579 /nfs/dbraw/zinc/25/65/79/572256579.db2.gz MARYFVUQKOQXGS-FQEVSTJZSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000408570860 572256584 /nfs/dbraw/zinc/25/65/84/572256584.db2.gz MARYFVUQKOQXGS-HXUWFJFHSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c(Br)cc1OC ZINC000408570921 572256609 /nfs/dbraw/zinc/25/66/09/572256609.db2.gz MJGVRJGLXCPSKI-IBGZPJMESA-N 0 0 511.373 4.995 40 5 KJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c(Br)cc1OC ZINC000408570923 572256588 /nfs/dbraw/zinc/25/65/88/572256588.db2.gz MJGVRJGLXCPSKI-LJQANCHMSA-N 0 0 511.373 4.995 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc4ccccc4c(Br)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000408571432 572257035 /nfs/dbraw/zinc/25/70/35/572257035.db2.gz AZNBUMDFUCHPLK-UHFFFAOYSA-N 0 0 601.479 4.533 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408571492 572257158 /nfs/dbraw/zinc/25/71/58/572257158.db2.gz CPPKLPUSJMGEON-UHFFFAOYSA-N 0 0 587.452 4.631 40 5 KJBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)c(Br)cc1OC ZINC000408571618 572257259 /nfs/dbraw/zinc/25/72/59/572257259.db2.gz PGHCLJYTCCFCQO-FQEVSTJZSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)c(Br)cc1OC ZINC000408571619 572257278 /nfs/dbraw/zinc/25/72/78/572257278.db2.gz PGHCLJYTCCFCQO-HXUWFJFHSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc4c(Br)cccc34)CC2)c([N+](=O)[O-])c1 ZINC000408571761 572257388 /nfs/dbraw/zinc/25/73/88/572257388.db2.gz FJWDGPWWHWIKIU-UHFFFAOYSA-N 0 0 512.360 4.650 40 5 KJBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000408572001 572257420 /nfs/dbraw/zinc/25/74/20/572257420.db2.gz QIHHWLXMGFQLDH-IBGZPJMESA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OC ZINC000408572002 572257411 /nfs/dbraw/zinc/25/74/11/572257411.db2.gz QIHHWLXMGFQLDH-LJQANCHMSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408572053 572257546 /nfs/dbraw/zinc/25/75/46/572257546.db2.gz GJZVITWOXRBRNG-UHFFFAOYSA-N 0 0 543.001 4.522 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408572187 572257697 /nfs/dbraw/zinc/25/76/97/572257697.db2.gz HGGOMMIVXUHAAQ-UHFFFAOYSA-N 0 0 557.028 4.830 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408572259 572257698 /nfs/dbraw/zinc/25/76/98/572257698.db2.gz HQYFPJMSFFVIKY-FMIVXFBMSA-N 0 0 569.039 4.921 40 5 KJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1 ZINC000408573063 572258501 /nfs/dbraw/zinc/25/85/01/572258501.db2.gz SHOXHWNICGEAMZ-FQEVSTJZSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1 ZINC000408573064 572258610 /nfs/dbraw/zinc/25/86/10/572258610.db2.gz SHOXHWNICGEAMZ-HXUWFJFHSA-N 0 0 523.409 4.864 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408573085 572258659 /nfs/dbraw/zinc/25/86/59/572258659.db2.gz LSISALIJQUTYHX-UHFFFAOYSA-N 0 0 543.001 4.522 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)CC2)c([N+](=O)[O-])c1 ZINC000408573728 572259205 /nfs/dbraw/zinc/25/92/05/572259205.db2.gz NTOKWOBBPCRWSF-UHFFFAOYSA-N 0 0 527.533 4.507 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 ZINC000408573870 572259166 /nfs/dbraw/zinc/25/91/66/572259166.db2.gz PKDTVCXSKUXIBV-UHFFFAOYSA-N 0 0 528.359 4.756 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cc(Br)cc(Br)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000408574506 572259733 /nfs/dbraw/zinc/25/97/33/572259733.db2.gz RLTJREZIGIDBGP-FNORWQNLSA-N 0 0 597.260 4.667 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000408574535 572259761 /nfs/dbraw/zinc/25/97/61/572259761.db2.gz RTCMLSAJZUWIMH-UHFFFAOYSA-N 0 0 527.533 4.507 40 5 KJBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408575045 572260127 /nfs/dbraw/zinc/26/01/27/572260127.db2.gz VRVGVUARUOBASY-GOSISDBHSA-N 0 0 511.373 4.995 40 5 KJBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC ZINC000408575046 572260060 /nfs/dbraw/zinc/26/00/60/572260060.db2.gz VRVGVUARUOBASY-SFHVURJKSA-N 0 0 511.373 4.995 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc4c(Br)cccc34)CC2)c([N+](=O)[O-])c1 ZINC000408575502 572260490 /nfs/dbraw/zinc/26/04/90/572260490.db2.gz VIFCEVYFVZMCMZ-UHFFFAOYSA-N 0 0 571.453 4.524 40 5 KJBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4c(Br)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000408576284 572261115 /nfs/dbraw/zinc/26/11/15/572261115.db2.gz WYBAFEZOTRUFHP-UHFFFAOYSA-N 0 0 542.386 4.658 40 5 KJBBRN Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408585481 572266104 /nfs/dbraw/zinc/26/61/04/572266104.db2.gz FPIIKGXIVSNSSX-UHFFFAOYSA-N 0 0 532.416 4.804 40 5 KJBBRN Cc1c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000408586762 572266307 /nfs/dbraw/zinc/26/63/07/572266307.db2.gz PMWYSQXLBICWJE-UHFFFAOYSA-N 0 0 510.410 4.628 40 5 KJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2c(F)cccc2Cl)cc1 ZINC000408587825 572266754 /nfs/dbraw/zinc/26/67/54/572266754.db2.gz UYKJKZKFLRAMDA-UHFFFAOYSA-N 0 0 505.955 4.834 40 5 KJBBRN Cc1c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000408587856 572266709 /nfs/dbraw/zinc/26/67/09/572266709.db2.gz VEDHKNCHBCKRBH-UHFFFAOYSA-N 0 0 532.416 4.538 40 5 KJBBRN Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000408591005 572268020 /nfs/dbraw/zinc/26/80/20/572268020.db2.gz HSICUDTYLMRSHR-IBGZPJMESA-N 0 0 508.383 4.738 40 5 KJBBRN Cc1c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000408591007 572268001 /nfs/dbraw/zinc/26/80/01/572268001.db2.gz HSICUDTYLMRSHR-LJQANCHMSA-N 0 0 508.383 4.738 40 5 KJBBRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000408595112 572270209 /nfs/dbraw/zinc/27/02/09/572270209.db2.gz TXBLKNCPYKSIEQ-UHFFFAOYSA-N 0 0 523.489 4.765 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000408595196 572270221 /nfs/dbraw/zinc/27/02/21/572270221.db2.gz UGNIIWIAVRAPHM-UHFFFAOYSA-N 0 0 533.990 4.716 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598254 572272060 /nfs/dbraw/zinc/27/20/60/572272060.db2.gz YLWJAUGXECQJPV-FQEVSTJZSA-N 0 0 508.383 4.738 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598255 572272026 /nfs/dbraw/zinc/27/20/26/572272026.db2.gz YLWJAUGXECQJPV-HXUWFJFHSA-N 0 0 508.383 4.738 40 5 KJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000408601523 572272938 /nfs/dbraw/zinc/27/29/38/572272938.db2.gz AHASTPAXKNQLHC-UHFFFAOYSA-N 0 0 501.564 4.696 40 5 KJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000408602123 572273078 /nfs/dbraw/zinc/27/30/78/572273078.db2.gz AOVWABXFLFIYCT-XBXARRHUSA-N 0 0 528.949 4.578 40 5 KJBBRN O=C(COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408603934 572273858 /nfs/dbraw/zinc/27/38/58/572273858.db2.gz HTIPONXUNLUCMP-ZZXKWVIFSA-N 0 0 511.705 4.944 40 5 KJBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)c2nonc21 ZINC000408604001 572273855 /nfs/dbraw/zinc/27/38/55/572273855.db2.gz IAMULJRCPILCSI-UHFFFAOYSA-N 0 0 511.317 4.998 40 5 KJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3cccc(I)c3)cc2)c1[N+](=O)[O-] ZINC000408605057 572274249 /nfs/dbraw/zinc/27/42/49/572274249.db2.gz KKJQZFVCAKREIC-JXMROGBWSA-N 0 0 505.268 4.684 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408605818 572274658 /nfs/dbraw/zinc/27/46/58/572274658.db2.gz KCZRFSQOMXTXKV-IBGZPJMESA-N 0 0 546.045 4.898 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408605822 572274630 /nfs/dbraw/zinc/27/46/30/572274630.db2.gz KCZRFSQOMXTXKV-LJQANCHMSA-N 0 0 546.045 4.898 40 5 KJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000408606881 572275051 /nfs/dbraw/zinc/27/50/51/572275051.db2.gz RPVUPBYZBUIATF-RUDMXATFSA-N 0 0 532.475 4.935 40 5 KJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000408607725 572275321 /nfs/dbraw/zinc/27/53/21/572275321.db2.gz UODHUHPJXHZTTH-UXBLZVDNSA-N 0 0 613.414 4.965 40 5 KJBBRN Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)c1 ZINC000408608193 572275405 /nfs/dbraw/zinc/27/54/05/572275405.db2.gz VIVRBBJLCCWECO-SDNWHVSQSA-N 0 0 541.520 4.545 40 5 KJBBRN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000408610470 572276229 /nfs/dbraw/zinc/27/62/29/572276229.db2.gz QZKHKTNPBAEVCC-UHFFFAOYSA-N 0 0 501.564 4.696 40 5 KJBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408611596 572276513 /nfs/dbraw/zinc/27/65/13/572276513.db2.gz UFVOCZNHHQMQKV-UHFFFAOYSA-N 0 0 533.322 4.838 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408613193 572277096 /nfs/dbraw/zinc/27/70/96/572277096.db2.gz VTMCEQABYQKFCZ-RMKNXTFCSA-N 0 0 599.109 4.618 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408613715 572277346 /nfs/dbraw/zinc/27/73/46/572277346.db2.gz XPOYWOWQUHDSRN-UHFFFAOYSA-N 0 0 513.572 4.533 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408615142 572278122 /nfs/dbraw/zinc/27/81/22/572278122.db2.gz MMVOLEIRZTUAFF-UHFFFAOYSA-N 0 0 580.663 4.762 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408615208 572278220 /nfs/dbraw/zinc/27/82/20/572278220.db2.gz NJNVKSGPHJVAAB-UHFFFAOYSA-N 0 0 524.039 4.990 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408620211 572281041 /nfs/dbraw/zinc/28/10/41/572281041.db2.gz NJPMZBUOZZNEKB-UHFFFAOYSA-N 0 0 587.098 4.726 40 5 KJBBRN CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408620245 572281050 /nfs/dbraw/zinc/28/10/50/572281050.db2.gz IYCKBBTWSIEUQN-UHFFFAOYSA-N 0 0 555.609 4.703 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408620637 572281188 /nfs/dbraw/zinc/28/11/88/572281188.db2.gz PZBFOZGQOFEMCQ-UHFFFAOYSA-N 0 0 548.061 4.846 40 5 KJBBRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408624784 572283258 /nfs/dbraw/zinc/28/32/58/572283258.db2.gz ULYSLMFEMAJJSI-UHFFFAOYSA-N 0 0 589.070 4.881 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000408625002 572283326 /nfs/dbraw/zinc/28/33/26/572283326.db2.gz HNZBDQXRZNVUOC-UHFFFAOYSA-N 0 0 513.572 4.533 40 5 KJBBRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1 ZINC000408625507 572283537 /nfs/dbraw/zinc/28/35/37/572283537.db2.gz SUCOGLWKYLRLHW-UHFFFAOYSA-N 0 0 519.963 4.774 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408626898 572284095 /nfs/dbraw/zinc/28/40/95/572284095.db2.gz YDUWXPYBOJPQFL-UHFFFAOYSA-N 0 0 624.075 4.724 40 5 KJBBRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1 ZINC000408627266 572284222 /nfs/dbraw/zinc/28/42/22/572284222.db2.gz YXJIIDFTPFBMPG-UHFFFAOYSA-N 0 0 519.963 4.774 40 5 KJBBRN COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000408629395 572284913 /nfs/dbraw/zinc/28/49/13/572284913.db2.gz AJTKOSQSHATMHE-UHFFFAOYSA-N 0 0 594.067 4.736 40 5 KJBBRN CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408636746 572293641 /nfs/dbraw/zinc/29/36/41/572293641.db2.gz BOJQGUIURSVLEP-NRFANRHFSA-N 0 0 546.532 4.731 40 5 KJBBRN CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408636747 572293636 /nfs/dbraw/zinc/29/36/36/572293636.db2.gz BOJQGUIURSVLEP-OAQYLSRUSA-N 0 0 546.532 4.731 40 5 KJBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408637668 572294521 /nfs/dbraw/zinc/29/45/21/572294521.db2.gz MSADYXIDMPEAEX-INIZCTEOSA-N 0 0 557.342 4.900 40 5 KJBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408637669 572294527 /nfs/dbraw/zinc/29/45/27/572294527.db2.gz MSADYXIDMPEAEX-MRXNPFEDSA-N 0 0 557.342 4.900 40 5 KJBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 ZINC000408637785 572294615 /nfs/dbraw/zinc/29/46/15/572294615.db2.gz BDJIDXRMRPCJCY-UHFFFAOYSA-N 0 0 516.268 4.577 40 5 KJBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408637822 572294588 /nfs/dbraw/zinc/29/45/88/572294588.db2.gz BFHOSBPQMPDIAV-UHFFFAOYSA-N 0 0 566.482 4.832 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000408638129 572294892 /nfs/dbraw/zinc/29/48/92/572294892.db2.gz BYLIQXMIDLEUGW-UHFFFAOYSA-N 0 0 563.522 4.659 40 5 KJBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408638502 572295128 /nfs/dbraw/zinc/29/51/28/572295128.db2.gz CREKLFHXPXDXAB-UHFFFAOYSA-N 0 0 570.341 4.510 40 5 KJBBRN CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408638572 572295224 /nfs/dbraw/zinc/29/52/24/572295224.db2.gz SDKDXPLKFAEBFX-DEOSSOPVSA-N 0 0 602.596 4.940 40 5 KJBBRN CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408638573 572295255 /nfs/dbraw/zinc/29/52/55/572295255.db2.gz SDKDXPLKFAEBFX-XMMPIXPASA-N 0 0 602.596 4.940 40 5 KJBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408638991 572295541 /nfs/dbraw/zinc/29/55/41/572295541.db2.gz DWBOLHPRBIVBOE-UHFFFAOYSA-N 0 0 512.305 4.746 40 5 KJBBRN CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639199 572295641 /nfs/dbraw/zinc/29/56/41/572295641.db2.gz WIEBOXDFVMJHSW-NRFANRHFSA-N 0 0 546.532 4.733 40 5 KJBBRN CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639200 572295644 /nfs/dbraw/zinc/29/56/44/572295644.db2.gz WIEBOXDFVMJHSW-OAQYLSRUSA-N 0 0 546.532 4.733 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408639216 572295603 /nfs/dbraw/zinc/29/56/03/572295603.db2.gz FCSJQSDETHLPGM-BVGQSLNGSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408639217 572295625 /nfs/dbraw/zinc/29/56/25/572295625.db2.gz FCSJQSDETHLPGM-FSPWUOQZSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000408639218 572295642 /nfs/dbraw/zinc/29/56/42/572295642.db2.gz FCSJQSDETHLPGM-JEBQAFNWSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000408639219 572295646 /nfs/dbraw/zinc/29/56/46/572295646.db2.gz FCSJQSDETHLPGM-XWIAVFTESA-N 0 0 518.353 4.563 40 5 KJBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408639389 572295816 /nfs/dbraw/zinc/29/58/16/572295816.db2.gz FRWMFYUQSSOBRN-UHFFFAOYSA-N 0 0 611.479 4.740 40 5 KJBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408639645 572295926 /nfs/dbraw/zinc/29/59/26/572295926.db2.gz GNHKPIGXIQLIFR-IBGZPJMESA-N 0 0 580.391 4.697 40 5 KJBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408639646 572295977 /nfs/dbraw/zinc/29/59/77/572295977.db2.gz GNHKPIGXIQLIFR-LJQANCHMSA-N 0 0 580.391 4.697 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639771 572296071 /nfs/dbraw/zinc/29/60/71/572296071.db2.gz ZCJJXKKWFYAMJJ-HSZRJFAPSA-N 0 0 588.569 4.550 40 5 KJBBRN CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000408639772 572296016 /nfs/dbraw/zinc/29/60/16/572296016.db2.gz ZCJJXKKWFYAMJJ-QHCPKHFHSA-N 0 0 588.569 4.550 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)cc1 ZINC000408639901 572296134 /nfs/dbraw/zinc/29/61/34/572296134.db2.gz GOWLUSFJMYUOSO-KAYWLYCHSA-N 0 0 581.581 4.704 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)cc2)cc1 ZINC000408639903 572296138 /nfs/dbraw/zinc/29/61/38/572296138.db2.gz GOWLUSFJMYUOSO-RRPNLBNLSA-N 0 0 581.581 4.704 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)cc1 ZINC000408639905 572296172 /nfs/dbraw/zinc/29/61/72/572296172.db2.gz GOWLUSFJMYUOSO-SVBPBHIXSA-N 0 0 581.581 4.704 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C(C)C[C@@H]4C3=O)cc2)cc1 ZINC000408639907 572296167 /nfs/dbraw/zinc/29/61/67/572296167.db2.gz GOWLUSFJMYUOSO-SXOMAYOGSA-N 0 0 581.581 4.704 40 5 KJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408640043 572296250 /nfs/dbraw/zinc/29/62/50/572296250.db2.gz ADQFZUJSUNLASD-AKRGNFOKSA-N 0 0 601.999 4.905 40 5 KJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408640044 572296259 /nfs/dbraw/zinc/29/62/59/572296259.db2.gz ADQFZUJSUNLASD-AVDBILAHSA-N 0 0 601.999 4.905 40 5 KJBBRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408640045 572296256 /nfs/dbraw/zinc/29/62/56/572296256.db2.gz ADQFZUJSUNLASD-NQTLKNRLSA-N 0 0 601.999 4.905 40 5 KJBBRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408640046 572296207 /nfs/dbraw/zinc/29/62/07/572296207.db2.gz ADQFZUJSUNLASD-QQIMBVITSA-N 0 0 601.999 4.905 40 5 KJBBRN O=C(NN1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408640361 572296456 /nfs/dbraw/zinc/29/64/56/572296456.db2.gz AUSGQUJXNWYWAA-UHFFFAOYSA-N 0 0 626.837 4.586 40 5 KJBBRN C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408640514 572296546 /nfs/dbraw/zinc/29/65/46/572296546.db2.gz IGQYDYUKZSGCPL-CYBMUJFWSA-N 0 0 512.305 4.826 40 5 KJBBRN C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408640517 572296489 /nfs/dbraw/zinc/29/64/89/572296489.db2.gz IGQYDYUKZSGCPL-ZDUSSCGKSA-N 0 0 512.305 4.826 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408640549 572296526 /nfs/dbraw/zinc/29/65/26/572296526.db2.gz IJMUMNLBMUBWBG-MQNAVGNWSA-N 0 0 575.599 4.537 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408640551 572296492 /nfs/dbraw/zinc/29/64/92/572296492.db2.gz IJMUMNLBMUBWBG-NLSFWIRASA-N 0 0 575.599 4.537 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408640554 572296525 /nfs/dbraw/zinc/29/65/25/572296525.db2.gz IJMUMNLBMUBWBG-VSDWSMLSSA-N 0 0 575.599 4.537 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408640555 572296491 /nfs/dbraw/zinc/29/64/91/572296491.db2.gz IJMUMNLBMUBWBG-ZQMYSKGWSA-N 0 0 575.599 4.537 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408640788 572296636 /nfs/dbraw/zinc/29/66/36/572296636.db2.gz IUFRKYIJYWGZCE-UHFFFAOYSA-N 0 0 521.913 4.820 40 5 KJBBRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641033 572296806 /nfs/dbraw/zinc/29/68/06/572296806.db2.gz JFOOYOFDGGTDAJ-UHFFFAOYSA-N 0 0 584.368 4.900 40 5 KJBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408641365 572297033 /nfs/dbraw/zinc/29/70/33/572297033.db2.gz KDHZKMFINISUQC-CYBMUJFWSA-N 0 0 512.305 4.826 40 5 KJBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408641366 572297005 /nfs/dbraw/zinc/29/70/05/572297005.db2.gz KDHZKMFINISUQC-ZDUSSCGKSA-N 0 0 512.305 4.826 40 5 KJBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641612 572297187 /nfs/dbraw/zinc/29/71/87/572297187.db2.gz KRCRYZQGUZKJFB-UHFFFAOYSA-N 0 0 628.937 4.912 40 5 KJBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408641708 572297244 /nfs/dbraw/zinc/29/72/44/572297244.db2.gz LDJCWLZSRXKQCV-UHFFFAOYSA-N 0 0 521.913 4.820 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000408642134 572297427 /nfs/dbraw/zinc/29/74/27/572297427.db2.gz DNZWFPBGANJIPX-GFNGZDJJSA-N 0 0 581.581 4.560 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)cc1 ZINC000408642135 572297546 /nfs/dbraw/zinc/29/75/46/572297546.db2.gz DNZWFPBGANJIPX-LVPRMVSMSA-N 0 0 581.581 4.560 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1 ZINC000408642136 572297548 /nfs/dbraw/zinc/29/75/48/572297548.db2.gz DNZWFPBGANJIPX-TUDQOENJSA-N 0 0 581.581 4.560 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1 ZINC000408642137 572297513 /nfs/dbraw/zinc/29/75/13/572297513.db2.gz DNZWFPBGANJIPX-WIJPHRNOSA-N 0 0 581.581 4.560 40 5 KJBBRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408642142 572297544 /nfs/dbraw/zinc/29/75/44/572297544.db2.gz DOQDDKGSDULLMC-IBGZPJMESA-N 0 0 581.375 4.664 40 5 KJBBRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408642143 572297510 /nfs/dbraw/zinc/29/75/10/572297510.db2.gz DOQDDKGSDULLMC-LJQANCHMSA-N 0 0 581.375 4.664 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408642222 572297532 /nfs/dbraw/zinc/29/75/32/572297532.db2.gz MEVDOZUYEAUHCM-IAIFEWERSA-N 0 0 586.557 4.957 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408642224 572297519 /nfs/dbraw/zinc/29/75/19/572297519.db2.gz MEVDOZUYEAUHCM-IHMJZKOGSA-N 0 0 586.557 4.957 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000408642226 572297556 /nfs/dbraw/zinc/29/75/56/572297556.db2.gz MEVDOZUYEAUHCM-LROUJFHJSA-N 0 0 586.557 4.957 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000408642228 572297508 /nfs/dbraw/zinc/29/75/08/572297508.db2.gz MEVDOZUYEAUHCM-YKQNXRHISA-N 0 0 586.557 4.957 40 5 KJBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408642509 572297763 /nfs/dbraw/zinc/29/77/63/572297763.db2.gz MZVNICBQFJPNAT-UHFFFAOYSA-N 0 0 512.305 4.746 40 5 KJBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000408642556 572297748 /nfs/dbraw/zinc/29/77/48/572297748.db2.gz NCTOSSXFMWBERI-UHFFFAOYSA-N 0 0 573.901 4.597 40 5 KJBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000408642815 572297986 /nfs/dbraw/zinc/29/79/86/572297986.db2.gz NXCKXDJURKRBDQ-UHFFFAOYSA-N 0 0 584.368 4.900 40 5 KJBBRN COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408643029 572298039 /nfs/dbraw/zinc/29/80/39/572298039.db2.gz OLHWTSXBFXXJMN-CYBMUJFWSA-N 0 0 542.331 4.835 40 5 KJBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408643030 572298055 /nfs/dbraw/zinc/29/80/55/572298055.db2.gz OLHWTSXBFXXJMN-ZDUSSCGKSA-N 0 0 542.331 4.835 40 5 KJBBRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408643373 572298157 /nfs/dbraw/zinc/29/81/57/572298157.db2.gz PHIQXDZGAWLQMF-CYBMUJFWSA-N 0 0 512.305 4.826 40 5 KJBBRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408643376 572298153 /nfs/dbraw/zinc/29/81/53/572298153.db2.gz PHIQXDZGAWLQMF-ZDUSSCGKSA-N 0 0 512.305 4.826 40 5 KJBBRN COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000408643484 572298238 /nfs/dbraw/zinc/29/82/38/572298238.db2.gz BGAIMADRMZPMCJ-UHFFFAOYSA-N 0 0 507.499 4.605 40 5 KJBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000408643636 572298281 /nfs/dbraw/zinc/29/82/81/572298281.db2.gz GJDAOULWNXJMPB-AGTZKDDFSA-N 0 0 575.552 4.866 40 5 KJBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000408643640 572298295 /nfs/dbraw/zinc/29/82/95/572298295.db2.gz GJDAOULWNXJMPB-QYVRTBTHSA-N 0 0 575.552 4.866 40 5 KJBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000408643644 572298298 /nfs/dbraw/zinc/29/82/98/572298298.db2.gz GJDAOULWNXJMPB-RAWLKHAVSA-N 0 0 575.552 4.866 40 5 KJBBRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000408643891 572298388 /nfs/dbraw/zinc/29/83/88/572298388.db2.gz GPKVNCLPWDNCDS-JOCHJYFZSA-N 0 0 554.511 4.853 40 5 KJBBRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000408643896 572298426 /nfs/dbraw/zinc/29/84/26/572298426.db2.gz GPKVNCLPWDNCDS-QFIPXVFZSA-N 0 0 554.511 4.853 40 5 KJBBRN O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408644070 572298460 /nfs/dbraw/zinc/29/84/60/572298460.db2.gz QPKXGMCMPWMQNK-UHFFFAOYSA-N 0 0 584.368 4.900 40 5 KJBBRN COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408644284 572298534 /nfs/dbraw/zinc/29/85/34/572298534.db2.gz QVQFKGDFJKPCKN-CYBMUJFWSA-N 0 0 542.331 4.835 40 5 KJBBRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408644286 572298555 /nfs/dbraw/zinc/29/85/55/572298555.db2.gz QVQFKGDFJKPCKN-ZDUSSCGKSA-N 0 0 542.331 4.835 40 5 KJBBRN Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408644329 572298541 /nfs/dbraw/zinc/29/85/41/572298541.db2.gz SNRGXZZPDAZVFF-AWEZNQCLSA-N 0 0 554.342 4.969 40 5 KJBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408644331 572298656 /nfs/dbraw/zinc/29/86/56/572298656.db2.gz SNRGXZZPDAZVFF-CQSZACIVSA-N 0 0 554.342 4.969 40 5 KJBBRN COc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000408644550 572298723 /nfs/dbraw/zinc/29/87/23/572298723.db2.gz GTOXTUMXCMWAQA-UHFFFAOYSA-N 0 0 521.526 4.995 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408644563 572298683 /nfs/dbraw/zinc/29/86/83/572298683.db2.gz HANIWYBVWLYIRV-BYVQZYKMSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408644568 572298715 /nfs/dbraw/zinc/29/87/15/572298715.db2.gz HANIWYBVWLYIRV-NPYONTDKSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408644572 572298755 /nfs/dbraw/zinc/29/87/55/572298755.db2.gz HANIWYBVWLYIRV-UDPYREPESA-N 0 0 587.588 4.736 40 5 KJBBRN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408644716 572298849 /nfs/dbraw/zinc/29/88/49/572298849.db2.gz HKOPGKLXMKRLSF-DQEYMECFSA-N 0 0 572.530 4.711 40 5 KJBBRN 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ZINC000408664642 572310935 /nfs/dbraw/zinc/31/09/35/572310935.db2.gz RXZHIXVJPGSBPG-UHFFFAOYSA-N 0 0 512.744 4.610 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)CC1=O ZINC000408665237 572311251 /nfs/dbraw/zinc/31/12/51/572311251.db2.gz OTOYWJJQKWOPHB-BDIZJHJCSA-N 0 0 629.625 4.959 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)CC1=O ZINC000408665241 572311221 /nfs/dbraw/zinc/31/12/21/572311221.db2.gz OTOYWJJQKWOPHB-QUIRXASYSA-N 0 0 629.625 4.959 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)CC1=O ZINC000408665245 572311233 /nfs/dbraw/zinc/31/12/33/572311233.db2.gz OTOYWJJQKWOPHB-RNZFFBOOSA-N 0 0 629.625 4.959 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)CC1=O ZINC000408665248 572311357 /nfs/dbraw/zinc/31/13/57/572311357.db2.gz OTOYWJJQKWOPHB-YRZDLWAJSA-N 0 0 629.625 4.959 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000408665544 572311585 /nfs/dbraw/zinc/31/15/85/572311585.db2.gz FSVUKIGKXNIXPC-UHFFFAOYSA-N 0 0 501.845 4.866 40 5 KJBBRN CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408665621 572311651 /nfs/dbraw/zinc/31/16/51/572311651.db2.gz UJXVWXONTHSNMO-GHOGMSORSA-N 0 0 607.446 4.939 40 5 KJBBRN CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408665622 572311682 /nfs/dbraw/zinc/31/16/82/572311682.db2.gz UJXVWXONTHSNMO-PXXGELSRSA-N 0 0 607.446 4.939 40 5 KJBBRN CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408665623 572311669 /nfs/dbraw/zinc/31/16/69/572311669.db2.gz UJXVWXONTHSNMO-UKIGHJFBSA-N 0 0 607.446 4.939 40 5 KJBBRN Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408667954 572313022 /nfs/dbraw/zinc/31/30/22/572313022.db2.gz SKGQPGUKAZRGHX-UHFFFAOYSA-N 0 0 512.744 4.610 40 5 KJBBRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408669816 572314272 /nfs/dbraw/zinc/31/42/72/572314272.db2.gz XFONGMJSYITGSQ-FXJYFZLZSA-N 0 0 536.371 4.515 40 5 KJBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408669820 572314291 /nfs/dbraw/zinc/31/42/91/572314291.db2.gz XFONGMJSYITGSQ-IOSXGEERSA-N 0 0 536.371 4.515 40 5 KJBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408669826 572314258 /nfs/dbraw/zinc/31/42/58/572314258.db2.gz XFONGMJSYITGSQ-MWWUWEJHSA-N 0 0 536.371 4.515 40 5 KJBBRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408669834 572314279 /nfs/dbraw/zinc/31/42/79/572314279.db2.gz XFONGMJSYITGSQ-YZZXTSOTSA-N 0 0 536.371 4.515 40 5 KJBBRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408670199 572314581 /nfs/dbraw/zinc/31/45/81/572314581.db2.gz YOYURCKJIFKQBW-UHFFFAOYSA-N 0 0 512.744 4.610 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3C)cc2)c1 ZINC000408670515 572314790 /nfs/dbraw/zinc/31/47/90/572314790.db2.gz QUHWLNQVEUKLFO-UHFFFAOYSA-N 0 0 507.499 4.605 40 5 KJBBRN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408671137 572315259 /nfs/dbraw/zinc/31/52/59/572315259.db2.gz JWLSDHWFVNNPNU-UHFFFAOYSA-N 0 0 529.288 4.751 40 5 KJBBRN O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408671531 572315570 /nfs/dbraw/zinc/31/55/70/572315570.db2.gz YYFPOZGKTBSYDP-DDBVPJQNSA-N 0 0 536.371 4.517 40 5 KJBBRN O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408671532 572315589 /nfs/dbraw/zinc/31/55/89/572315589.db2.gz YYFPOZGKTBSYDP-LSSDNNNWSA-N 0 0 536.371 4.517 40 5 KJBBRN O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000408671533 572315575 /nfs/dbraw/zinc/31/55/75/572315575.db2.gz YYFPOZGKTBSYDP-XWYWGPMTSA-N 0 0 536.371 4.517 40 5 KJBBRN Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408672193 572315976 /nfs/dbraw/zinc/31/59/76/572315976.db2.gz ZUTIBEAPKUFKOV-DOLBPCJWSA-N 0 0 550.398 4.823 40 5 KJBBRN Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408672195 572315984 /nfs/dbraw/zinc/31/59/84/572315984.db2.gz ZUTIBEAPKUFKOV-IUYCLRINSA-N 0 0 550.398 4.823 40 5 KJBBRN Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408672197 572315999 /nfs/dbraw/zinc/31/59/99/572315999.db2.gz ZUTIBEAPKUFKOV-NZSGZAQMSA-N 0 0 550.398 4.823 40 5 KJBBRN Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408672200 572315980 /nfs/dbraw/zinc/31/59/80/572315980.db2.gz ZUTIBEAPKUFKOV-QEIZMNAYSA-N 0 0 550.398 4.823 40 5 KJBBRN COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1[N+](=O)[O-] ZINC000408672265 572316070 /nfs/dbraw/zinc/31/60/70/572316070.db2.gz NDEWDIFJWCJYSR-UHFFFAOYSA-N 0 0 529.288 4.751 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)CC1=O ZINC000408672491 572316154 /nfs/dbraw/zinc/31/61/54/572316154.db2.gz VDWYWYTWFVFOSF-BDIZJHJCSA-N 0 0 629.625 4.959 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)CC1=O ZINC000408672493 572316196 /nfs/dbraw/zinc/31/61/96/572316196.db2.gz VDWYWYTWFVFOSF-QUIRXASYSA-N 0 0 629.625 4.959 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)CC1=O ZINC000408672496 572316168 /nfs/dbraw/zinc/31/61/68/572316168.db2.gz VDWYWYTWFVFOSF-RNZFFBOOSA-N 0 0 629.625 4.959 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)CC1=O ZINC000408672498 572316149 /nfs/dbraw/zinc/31/61/49/572316149.db2.gz VDWYWYTWFVFOSF-YRZDLWAJSA-N 0 0 629.625 4.959 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000408672762 572316295 /nfs/dbraw/zinc/31/62/95/572316295.db2.gz WPHAIPYVNRCOPS-UHFFFAOYSA-N 0 0 517.844 4.566 40 5 KJBBRN Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408673389 572316694 /nfs/dbraw/zinc/31/66/94/572316694.db2.gz WTWSCJICGRHRLB-IBGZPJMESA-N 0 0 535.512 4.816 40 5 KJBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408673390 572316676 /nfs/dbraw/zinc/31/66/76/572316676.db2.gz WTWSCJICGRHRLB-LJQANCHMSA-N 0 0 535.512 4.816 40 5 KJBBRN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1[N+](=O)[O-] ZINC000408673768 572316930 /nfs/dbraw/zinc/31/69/30/572316930.db2.gz VAURNSBDETVZOP-UHFFFAOYSA-N 0 0 584.379 4.763 40 5 KJBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccc(Br)cc5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408673898 572316921 /nfs/dbraw/zinc/31/69/21/572316921.db2.gz XYVORPOMTKRPCZ-INIZCTEOSA-N 0 0 578.375 4.733 40 5 KJBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccc(Br)cc5C4=O)c(C)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408673899 572316925 /nfs/dbraw/zinc/31/69/25/572316925.db2.gz XYVORPOMTKRPCZ-MRXNPFEDSA-N 0 0 578.375 4.733 40 5 KJBBRN Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408674182 572317112 /nfs/dbraw/zinc/31/71/12/572317112.db2.gz YURQRGKOKMDFKF-AWEZNQCLSA-N 0 0 554.342 4.969 40 5 KJBBRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408674184 572317102 /nfs/dbraw/zinc/31/71/02/572317102.db2.gz YURQRGKOKMDFKF-CQSZACIVSA-N 0 0 554.342 4.969 40 5 KJBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccc(NC(C)=O)cc1 ZINC000408674598 572317350 /nfs/dbraw/zinc/31/73/50/572317350.db2.gz BXQMHWWBKIRCNL-UHFFFAOYSA-N 0 0 504.366 4.569 40 5 KJBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1cc(OC)cc(OC)c1 ZINC000408674878 572317563 /nfs/dbraw/zinc/31/75/63/572317563.db2.gz LJXQZVRSWGCJGA-UHFFFAOYSA-N 0 0 507.366 4.628 40 5 KJBBRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000408675120 572317774 /nfs/dbraw/zinc/31/77/74/572317774.db2.gz SIEZFVZYAUHWPT-UHFFFAOYSA-N 0 0 521.393 4.552 40 5 KJBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1cccc(NC(C)=O)c1 ZINC000408675402 572318024 /nfs/dbraw/zinc/31/80/24/572318024.db2.gz XXDONCSVPVJZNJ-UHFFFAOYSA-N 0 0 504.366 4.569 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408675528 572318129 /nfs/dbraw/zinc/31/81/29/572318129.db2.gz BETFFXSIGZHEDG-CLJLJLNGSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1 ZINC000408675529 572318196 /nfs/dbraw/zinc/31/81/96/572318196.db2.gz BETFFXSIGZHEDG-FTJBHMTQSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408675530 572318146 /nfs/dbraw/zinc/31/81/46/572318146.db2.gz BETFFXSIGZHEDG-IZZNHLLZSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1 ZINC000408675531 572318174 /nfs/dbraw/zinc/31/81/74/572318174.db2.gz BETFFXSIGZHEDG-UIOOFZCWSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 ZINC000408675724 572318259 /nfs/dbraw/zinc/31/82/59/572318259.db2.gz BYGLEKOVZSRVBS-ILBGXUMGSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 ZINC000408675725 572318308 /nfs/dbraw/zinc/31/83/08/572318308.db2.gz BYGLEKOVZSRVBS-NOZRDPDXSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 ZINC000408675726 572318266 /nfs/dbraw/zinc/31/82/66/572318266.db2.gz BYGLEKOVZSRVBS-UKILVPOCSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 ZINC000408675727 572318309 /nfs/dbraw/zinc/31/83/09/572318309.db2.gz BYGLEKOVZSRVBS-ZCYQVOJMSA-N 0 0 567.554 4.733 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408675742 572318255 /nfs/dbraw/zinc/31/82/55/572318255.db2.gz CAOJFCHTWDJPJZ-BYVQZYKMSA-N 0 0 597.624 4.538 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408675743 572318235 /nfs/dbraw/zinc/31/82/35/572318235.db2.gz CAOJFCHTWDJPJZ-NPYONTDKSA-N 0 0 597.624 4.538 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408675744 572318242 /nfs/dbraw/zinc/31/82/42/572318242.db2.gz CAOJFCHTWDJPJZ-UDPYREPESA-N 0 0 597.624 4.538 40 5 KJBBRN O=C(NN1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000408676174 572318472 /nfs/dbraw/zinc/31/84/72/572318472.db2.gz AIOJAEATRDHIHH-UHFFFAOYSA-N 0 0 626.837 4.586 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408676212 572318522 /nfs/dbraw/zinc/31/85/22/572318522.db2.gz ALWDQHUIFLWDQY-AGTZKDDFSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408676213 572318505 /nfs/dbraw/zinc/31/85/05/572318505.db2.gz ALWDQHUIFLWDQY-QYVRTBTHSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408676214 572318520 /nfs/dbraw/zinc/31/85/20/572318520.db2.gz ALWDQHUIFLWDQY-RAWLKHAVSA-N 0 0 602.559 4.635 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)cc3)C(=O)[C@@H]2C1 ZINC000408676505 572318645 /nfs/dbraw/zinc/31/86/45/572318645.db2.gz DEINLFSAJBGFNJ-CLJLJLNGSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)cc3)C(=O)[C@H]2C1 ZINC000408676508 572318657 /nfs/dbraw/zinc/31/86/57/572318657.db2.gz DEINLFSAJBGFNJ-FTJBHMTQSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)cc3)C(=O)[C@@H]2C1 ZINC000408676510 572318643 /nfs/dbraw/zinc/31/86/43/572318643.db2.gz DEINLFSAJBGFNJ-IZZNHLLZSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)cc3)C(=O)[C@H]2C1 ZINC000408676511 572318577 /nfs/dbraw/zinc/31/85/77/572318577.db2.gz DEINLFSAJBGFNJ-UIOOFZCWSA-N 0 0 567.554 4.733 40 5 KJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408676628 572318695 /nfs/dbraw/zinc/31/86/95/572318695.db2.gz BAYMJWMBVAJSGI-FZDFQQAASA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408676631 572318700 /nfs/dbraw/zinc/31/87/00/572318700.db2.gz BAYMJWMBVAJSGI-HCXPYDJZSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408676634 572318719 /nfs/dbraw/zinc/31/87/19/572318719.db2.gz BAYMJWMBVAJSGI-QYVZARNFSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000408677329 572318998 /nfs/dbraw/zinc/31/89/98/572318998.db2.gz BRSQMJKSWQYHGP-AGTZKDDFSA-N 0 0 557.562 4.727 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000408677332 572318996 /nfs/dbraw/zinc/31/89/96/572318996.db2.gz BRSQMJKSWQYHGP-QYVRTBTHSA-N 0 0 557.562 4.727 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000408677336 572319110 /nfs/dbraw/zinc/31/91/10/572319110.db2.gz BRSQMJKSWQYHGP-RAWLKHAVSA-N 0 0 557.562 4.727 40 5 KJBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000408677684 572319300 /nfs/dbraw/zinc/31/93/00/572319300.db2.gz DYEHFPVPLKGEIE-NCAGQIRNSA-N 0 0 517.497 4.844 40 5 KJBBRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000408677688 572319353 /nfs/dbraw/zinc/31/93/53/572319353.db2.gz DYEHFPVPLKGEIE-RCVNQITKSA-N 0 0 517.497 4.844 40 5 KJBBRN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000408677690 572319307 /nfs/dbraw/zinc/31/93/07/572319307.db2.gz DYEHFPVPLKGEIE-URFMBUMFSA-N 0 0 517.497 4.844 40 5 KJBBRN O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000408677692 572319330 /nfs/dbraw/zinc/31/93/30/572319330.db2.gz DYEHFPVPLKGEIE-YNYZQZDBSA-N 0 0 517.497 4.844 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408677910 572319456 /nfs/dbraw/zinc/31/94/56/572319456.db2.gz FHYNVYPXYZLAPV-BYVQZYKMSA-N 0 0 581.625 4.838 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408677922 572319482 /nfs/dbraw/zinc/31/94/82/572319482.db2.gz FHYNVYPXYZLAPV-NPYONTDKSA-N 0 0 581.625 4.838 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408677926 572319454 /nfs/dbraw/zinc/31/94/54/572319454.db2.gz FHYNVYPXYZLAPV-UDPYREPESA-N 0 0 581.625 4.838 40 5 KJBBRN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408678816 572320022 /nfs/dbraw/zinc/32/00/22/572320022.db2.gz DHOHTLWBGPSOKK-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000408679254 572320371 /nfs/dbraw/zinc/32/03/71/572320371.db2.gz GKYOFDXWGAJGBI-AGTZKDDFSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000408679258 572320395 /nfs/dbraw/zinc/32/03/95/572320395.db2.gz GKYOFDXWGAJGBI-QYVRTBTHSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000408679261 572320412 /nfs/dbraw/zinc/32/04/12/572320412.db2.gz GKYOFDXWGAJGBI-RAWLKHAVSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408679895 572320756 /nfs/dbraw/zinc/32/07/56/572320756.db2.gz HISCNMHLKIICPH-AGTZKDDFSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408679897 572320789 /nfs/dbraw/zinc/32/07/89/572320789.db2.gz HISCNMHLKIICPH-QYVRTBTHSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408679899 572320766 /nfs/dbraw/zinc/32/07/66/572320766.db2.gz HISCNMHLKIICPH-RAWLKHAVSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408680760 572321388 /nfs/dbraw/zinc/32/13/88/572321388.db2.gz GKOMSEIYRQCEFC-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000408680795 572321413 /nfs/dbraw/zinc/32/14/13/572321413.db2.gz GSIPOOWBQNVYSX-JOCHJYFZSA-N 0 0 516.369 4.964 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000408680796 572321322 /nfs/dbraw/zinc/32/13/22/572321322.db2.gz GSIPOOWBQNVYSX-QFIPXVFZSA-N 0 0 516.369 4.964 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Br)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408680846 572321404 /nfs/dbraw/zinc/32/14/04/572321404.db2.gz HCWFNWJERSLVSK-JOCHJYFZSA-N 0 0 516.369 4.964 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408680847 572321395 /nfs/dbraw/zinc/32/13/95/572321395.db2.gz HCWFNWJERSLVSK-QFIPXVFZSA-N 0 0 516.369 4.964 40 5 KJBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408681004 1066528807 /nfs/dbraw/zinc/52/88/07/1066528807.db2.gz ISYZLMWTEXDNQV-AGTZKDDFSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408681008 1066528785 /nfs/dbraw/zinc/52/87/85/1066528785.db2.gz ISYZLMWTEXDNQV-QYVRTBTHSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000408681010 1066528800 /nfs/dbraw/zinc/52/88/00/1066528800.db2.gz ISYZLMWTEXDNQV-RAWLKHAVSA-N 0 0 573.561 4.787 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000408681167 1066528339 /nfs/dbraw/zinc/52/83/39/1066528339.db2.gz HHEUIBXFKVIAJO-AGTZKDDFSA-N 0 0 575.552 4.866 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000408681172 1066528792 /nfs/dbraw/zinc/52/87/92/1066528792.db2.gz HHEUIBXFKVIAJO-QYVRTBTHSA-N 0 0 575.552 4.866 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(F)cc1 ZINC000408681175 1066528771 /nfs/dbraw/zinc/52/87/71/1066528771.db2.gz HHEUIBXFKVIAJO-RAWLKHAVSA-N 0 0 575.552 4.866 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408681409 1066527790 /nfs/dbraw/zinc/52/77/90/1066527790.db2.gz JHDCNWZVLMYSJZ-BYVQZYKMSA-N 0 0 603.587 4.796 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408681410 1066527773 /nfs/dbraw/zinc/52/77/73/1066527773.db2.gz JHDCNWZVLMYSJZ-NPYONTDKSA-N 0 0 603.587 4.796 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408681411 1066527917 /nfs/dbraw/zinc/52/79/17/1066527917.db2.gz JHDCNWZVLMYSJZ-UDPYREPESA-N 0 0 603.587 4.796 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000408681734 1066527325 /nfs/dbraw/zinc/52/73/25/1066527325.db2.gz IMJSKELOOUXOAS-AGTZKDDFSA-N 0 0 557.562 4.727 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000408681735 1066527435 /nfs/dbraw/zinc/52/74/35/1066527435.db2.gz IMJSKELOOUXOAS-QYVRTBTHSA-N 0 0 557.562 4.727 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000408681736 1066527478 /nfs/dbraw/zinc/52/74/78/1066527478.db2.gz IMJSKELOOUXOAS-RAWLKHAVSA-N 0 0 557.562 4.727 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Br)cc2)cc1 ZINC000408682093 1066526384 /nfs/dbraw/zinc/52/63/84/1066526384.db2.gz IQXHQVGEFKTDHS-JOCHJYFZSA-N 0 0 516.369 4.964 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Br)cc2)cc1 ZINC000408682094 1066526467 /nfs/dbraw/zinc/52/64/67/1066526467.db2.gz IQXHQVGEFKTDHS-QFIPXVFZSA-N 0 0 516.369 4.964 40 5 KJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408682134 1066526563 /nfs/dbraw/zinc/52/65/63/1066526563.db2.gz IYUMYGYOOKVDGR-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)CCN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408682479 1066526068 /nfs/dbraw/zinc/52/60/68/1066526068.db2.gz GODGHAHQKKXRGP-UHFFFAOYSA-N 0 0 549.150 4.685 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682576 1066525481 /nfs/dbraw/zinc/52/54/81/1066525481.db2.gz JRLOIQAONGOUKD-FZDFQQAASA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682579 1066526043 /nfs/dbraw/zinc/52/60/43/1066526043.db2.gz JRLOIQAONGOUKD-HCXPYDJZSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682580 1066526109 /nfs/dbraw/zinc/52/61/09/1066526109.db2.gz JRLOIQAONGOUKD-QYVZARNFSA-N 0 0 574.549 4.953 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 ZINC000408682777 1066525582 /nfs/dbraw/zinc/52/55/82/1066525582.db2.gz LOMONXNUBRANLX-ILBGXUMGSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 ZINC000408682779 1066525644 /nfs/dbraw/zinc/52/56/44/1066525644.db2.gz LOMONXNUBRANLX-NOZRDPDXSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 ZINC000408682780 1066525589 /nfs/dbraw/zinc/52/55/89/1066525589.db2.gz LOMONXNUBRANLX-UKILVPOCSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 ZINC000408682782 1066525517 /nfs/dbraw/zinc/52/55/17/1066525517.db2.gz LOMONXNUBRANLX-ZCYQVOJMSA-N 0 0 567.554 4.733 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408682955 1066524731 /nfs/dbraw/zinc/52/47/31/1066524731.db2.gz KLEBTXUFXONIGJ-FZDFQQAASA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683126 1066524405 /nfs/dbraw/zinc/52/44/05/1066524405.db2.gz KLEBTXUFXONIGJ-HCXPYDJZSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683127 1066524353 /nfs/dbraw/zinc/52/43/53/1066524353.db2.gz KLEBTXUFXONIGJ-QYVZARNFSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408683170 1066524385 /nfs/dbraw/zinc/52/43/85/1066524385.db2.gz KRCJNYFARDNWRJ-AGTZKDDFSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408683173 1066524363 /nfs/dbraw/zinc/52/43/63/1066524363.db2.gz KRCJNYFARDNWRJ-QYVRTBTHSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000408683177 1066524467 /nfs/dbraw/zinc/52/44/67/1066524467.db2.gz KRCJNYFARDNWRJ-RAWLKHAVSA-N 0 0 602.559 4.635 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)c1 ZINC000408683242 1066523871 /nfs/dbraw/zinc/52/38/71/1066523871.db2.gz MLGBNZDBPZBUKN-BYVQZYKMSA-N 0 0 603.587 4.796 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)c1 ZINC000408683247 1066524072 /nfs/dbraw/zinc/52/40/72/1066524072.db2.gz MLGBNZDBPZBUKN-NPYONTDKSA-N 0 0 603.587 4.796 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)cc2)c1 ZINC000408683249 1066523955 /nfs/dbraw/zinc/52/39/55/1066523955.db2.gz MLGBNZDBPZBUKN-UDPYREPESA-N 0 0 603.587 4.796 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683315 1066524319 /nfs/dbraw/zinc/52/43/19/1066524319.db2.gz LCTXQHBXTMQSPR-FZDFQQAASA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683317 1066524445 /nfs/dbraw/zinc/52/44/45/1066524445.db2.gz LCTXQHBXTMQSPR-HCXPYDJZSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408683322 1066524395 /nfs/dbraw/zinc/52/43/95/1066524395.db2.gz LCTXQHBXTMQSPR-QYVZARNFSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408683683 1066523497 /nfs/dbraw/zinc/52/34/97/1066523497.db2.gz LZOLJXOOHXBHAU-AGTZKDDFSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408683686 1066523412 /nfs/dbraw/zinc/52/34/12/1066523412.db2.gz LZOLJXOOHXBHAU-QYVRTBTHSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408683752 1066523484 /nfs/dbraw/zinc/52/34/84/1066523484.db2.gz LZOLJXOOHXBHAU-RAWLKHAVSA-N 0 0 602.559 4.635 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408684367 1066522749 /nfs/dbraw/zinc/52/27/49/1066522749.db2.gz JTUOMHKKQMWUDM-FTBPSBKWSA-N 0 0 541.560 4.772 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408684368 1066522726 /nfs/dbraw/zinc/52/27/26/1066522726.db2.gz JTUOMHKKQMWUDM-GPUOULLFSA-N 0 0 541.560 4.772 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408684369 1066522783 /nfs/dbraw/zinc/52/27/83/1066522783.db2.gz JTUOMHKKQMWUDM-NQHRYMMQSA-N 0 0 541.560 4.772 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] ZINC000408684370 1066522777 /nfs/dbraw/zinc/52/27/77/1066522777.db2.gz JTUOMHKKQMWUDM-SDUSCBPUSA-N 0 0 541.560 4.772 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408684479 1066522376 /nfs/dbraw/zinc/52/23/76/1066522376.db2.gz NNTVTDIAJYMMRI-DDUZABMNSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 ZINC000408684480 1066522350 /nfs/dbraw/zinc/52/23/50/1066522350.db2.gz NNTVTDIAJYMMRI-QIIPPGSGSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408684482 1066522292 /nfs/dbraw/zinc/52/22/92/1066522292.db2.gz NNTVTDIAJYMMRI-SIIHOXLZSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 ZINC000408684484 1066522391 /nfs/dbraw/zinc/52/23/91/1066522391.db2.gz NNTVTDIAJYMMRI-XUWXXGDYSA-N 0 0 518.353 4.563 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408684526 1066522342 /nfs/dbraw/zinc/52/23/42/1066522342.db2.gz NSOFIVYVRQKBFZ-AGTZKDDFSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408684529 1066522310 /nfs/dbraw/zinc/52/23/10/1066522310.db2.gz NSOFIVYVRQKBFZ-QYVRTBTHSA-N 0 0 602.559 4.635 40 5 KJBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000408684532 1066522334 /nfs/dbraw/zinc/52/23/34/1066522334.db2.gz NSOFIVYVRQKBFZ-RAWLKHAVSA-N 0 0 602.559 4.635 40 5 KJBBRN COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408684797 1066521934 /nfs/dbraw/zinc/52/19/34/1066521934.db2.gz OBUSFMCSLWQQEH-BYVQZYKMSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408684800 1066521991 /nfs/dbraw/zinc/52/19/91/1066521991.db2.gz OBUSFMCSLWQQEH-NPYONTDKSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408684802 1066521891 /nfs/dbraw/zinc/52/18/91/1066521891.db2.gz OBUSFMCSLWQQEH-UDPYREPESA-N 0 0 587.588 4.736 40 5 KJBBRN O=C(COC(=O)CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408685151 1066518020 /nfs/dbraw/zinc/51/80/20/1066518020.db2.gz QFCMYRDBLGARNL-AGTZKDDFSA-N 0 0 567.598 4.529 40 5 KJBBRN O=C(COC(=O)CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408685155 1066517943 /nfs/dbraw/zinc/51/79/43/1066517943.db2.gz QFCMYRDBLGARNL-QYVRTBTHSA-N 0 0 567.598 4.529 40 5 KJBBRN O=C(COC(=O)CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408685157 1066518089 /nfs/dbraw/zinc/51/80/89/1066518089.db2.gz QFCMYRDBLGARNL-RAWLKHAVSA-N 0 0 567.598 4.529 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Br)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408685209 1066517993 /nfs/dbraw/zinc/51/79/93/1066517993.db2.gz PACCGPKWBYVLSG-JOCHJYFZSA-N 0 0 516.369 4.964 40 5 KJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408685211 1066518057 /nfs/dbraw/zinc/51/80/57/1066518057.db2.gz PACCGPKWBYVLSG-QFIPXVFZSA-N 0 0 516.369 4.964 40 5 KJBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408685662 1066521041 /nfs/dbraw/zinc/52/10/41/1066521041.db2.gz PSJUMIFYQBDFQS-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408686559 1066519502 /nfs/dbraw/zinc/51/95/02/1066519502.db2.gz RVQVMJDJIOHHDQ-FMEYXAORSA-N 0 0 518.353 4.563 40 5 KJBBRN C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000408686560 1066519638 /nfs/dbraw/zinc/51/96/38/1066519638.db2.gz RVQVMJDJIOHHDQ-XVSDVWIESA-N 0 0 518.353 4.563 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)c1 ZINC000408686808 1066518833 /nfs/dbraw/zinc/51/88/33/1066518833.db2.gz TULVIQRETNXVBA-BYVQZYKMSA-N 0 0 603.587 4.796 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)c1 ZINC000408686809 1066518763 /nfs/dbraw/zinc/51/87/63/1066518763.db2.gz TULVIQRETNXVBA-NPYONTDKSA-N 0 0 603.587 4.796 40 5 KJBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)c2)c1 ZINC000408686810 1066518775 /nfs/dbraw/zinc/51/87/75/1066518775.db2.gz TULVIQRETNXVBA-UDPYREPESA-N 0 0 603.587 4.796 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1 ZINC000408687082 1066518487 /nfs/dbraw/zinc/51/84/87/1066518487.db2.gz UENVADFVJCEEFU-CLJLJLNGSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@H]2C1 ZINC000408687083 1066518411 /nfs/dbraw/zinc/51/84/11/1066518411.db2.gz UENVADFVJCEEFU-FTJBHMTQSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1 ZINC000408687084 1066518432 /nfs/dbraw/zinc/51/84/32/1066518432.db2.gz UENVADFVJCEEFU-IZZNHLLZSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@H]2C1 ZINC000408687085 1066518480 /nfs/dbraw/zinc/51/84/80/1066518480.db2.gz UENVADFVJCEEFU-UIOOFZCWSA-N 0 0 567.554 4.733 40 5 KJBBRN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408687177 1066518380 /nfs/dbraw/zinc/51/83/80/1066518380.db2.gz SZRVUZVHKXHEAL-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408687474 1066543743 /nfs/dbraw/zinc/54/37/43/1066543743.db2.gz UMCVHFYCIJIVAG-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)c3)C(=O)[C@@H]2C1 ZINC000408687734 1066542935 /nfs/dbraw/zinc/54/29/35/1066542935.db2.gz VJAZTWAPFJIYOD-CLJLJLNGSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)c3)C(=O)[C@H]2C1 ZINC000408687737 1066542907 /nfs/dbraw/zinc/54/29/07/1066542907.db2.gz VJAZTWAPFJIYOD-FTJBHMTQSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)c3)C(=O)[C@@H]2C1 ZINC000408687740 1066542895 /nfs/dbraw/zinc/54/28/95/1066542895.db2.gz VJAZTWAPFJIYOD-IZZNHLLZSA-N 0 0 567.554 4.733 40 5 KJBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)c4)c3)C(=O)[C@H]2C1 ZINC000408687743 1066542942 /nfs/dbraw/zinc/54/29/42/1066542942.db2.gz VJAZTWAPFJIYOD-UIOOFZCWSA-N 0 0 567.554 4.733 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408687841 1066542232 /nfs/dbraw/zinc/54/22/32/1066542232.db2.gz PLPMJXRKYCFLEE-FYZCMOJQSA-N 0 0 581.625 4.692 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408687847 1066542179 /nfs/dbraw/zinc/54/21/79/1066542179.db2.gz PLPMJXRKYCFLEE-NSHXHUPESA-N 0 0 581.625 4.692 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408687849 1066542199 /nfs/dbraw/zinc/54/21/99/1066542199.db2.gz PLPMJXRKYCFLEE-WQPXKOACSA-N 0 0 581.625 4.692 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408687850 1066542572 /nfs/dbraw/zinc/54/25/72/1066542572.db2.gz PLPMJXRKYCFLEE-XVLRFGCZSA-N 0 0 581.625 4.692 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408687886 1066542569 /nfs/dbraw/zinc/54/25/69/1066542569.db2.gz PNURTEYWOFOAKM-AMDXRBSFSA-N 0 0 541.560 4.772 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408687888 1066542541 /nfs/dbraw/zinc/54/25/41/1066542541.db2.gz PNURTEYWOFOAKM-BUUDZMLXSA-N 0 0 541.560 4.772 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408687889 1066542600 /nfs/dbraw/zinc/54/26/00/1066542600.db2.gz PNURTEYWOFOAKM-NIJXNBFTSA-N 0 0 541.560 4.772 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1[N+](=O)[O-] ZINC000408687891 1066542532 /nfs/dbraw/zinc/54/25/32/1066542532.db2.gz PNURTEYWOFOAKM-ZPZUNKDASA-N 0 0 541.560 4.772 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408687937 1066541857 /nfs/dbraw/zinc/54/18/57/1066541857.db2.gz VINIDXNNRHWXQT-BYVQZYKMSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408687940 1066541873 /nfs/dbraw/zinc/54/18/73/1066541873.db2.gz VINIDXNNRHWXQT-NPYONTDKSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408687943 1066541785 /nfs/dbraw/zinc/54/17/85/1066541785.db2.gz VINIDXNNRHWXQT-UDPYREPESA-N 0 0 587.588 4.736 40 5 KJBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000408688434 1066541365 /nfs/dbraw/zinc/54/13/65/1066541365.db2.gz WRGSGOVWNPDMNS-NCAGQIRNSA-N 0 0 517.497 4.844 40 5 KJBBRN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000408688436 1066541464 /nfs/dbraw/zinc/54/14/64/1066541464.db2.gz WRGSGOVWNPDMNS-RCVNQITKSA-N 0 0 517.497 4.844 40 5 KJBBRN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000408688438 1066541423 /nfs/dbraw/zinc/54/14/23/1066541423.db2.gz WRGSGOVWNPDMNS-URFMBUMFSA-N 0 0 517.497 4.844 40 5 KJBBRN O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000408688440 1066541408 /nfs/dbraw/zinc/54/14/08/1066541408.db2.gz WRGSGOVWNPDMNS-YNYZQZDBSA-N 0 0 517.497 4.844 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408688649 1066541063 /nfs/dbraw/zinc/54/10/63/1066541063.db2.gz WKUNJPBHDGQQPD-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408688721 1066541103 /nfs/dbraw/zinc/54/11/03/1066541103.db2.gz XANYXSWIPJSKRH-BYVQZYKMSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408688722 1066541068 /nfs/dbraw/zinc/54/10/68/1066541068.db2.gz XANYXSWIPJSKRH-NPYONTDKSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000408688723 1066541045 /nfs/dbraw/zinc/54/10/45/1066541045.db2.gz XANYXSWIPJSKRH-UDPYREPESA-N 0 0 587.588 4.736 40 5 KJBBRN COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408689557 1066539710 /nfs/dbraw/zinc/53/97/10/1066539710.db2.gz YNSMWCMJXSKFSF-BYVQZYKMSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408689560 1066539676 /nfs/dbraw/zinc/53/96/76/1066539676.db2.gz YNSMWCMJXSKFSF-NPYONTDKSA-N 0 0 587.588 4.736 40 5 KJBBRN COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408689561 1066539735 /nfs/dbraw/zinc/53/97/35/1066539735.db2.gz YNSMWCMJXSKFSF-UDPYREPESA-N 0 0 587.588 4.736 40 5 KJBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408689677 1066539311 /nfs/dbraw/zinc/53/93/11/1066539311.db2.gz YUXRQRILBSZQIT-UHFFFAOYSA-N 0 0 515.265 4.663 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690031 1066538925 /nfs/dbraw/zinc/53/89/25/1066538925.db2.gz ZLEFYKUUSOMJBG-FZDFQQAASA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690034 1066538855 /nfs/dbraw/zinc/53/88/55/1066538855.db2.gz ZLEFYKUUSOMJBG-HCXPYDJZSA-N 0 0 574.549 4.953 40 5 KJBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690037 1066538817 /nfs/dbraw/zinc/53/88/17/1066538817.db2.gz ZLEFYKUUSOMJBG-QYVZARNFSA-N 0 0 574.549 4.953 40 5 KJBBRN CCCC[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690331 1066538043 /nfs/dbraw/zinc/53/80/43/1066538043.db2.gz UZVNTZIUAUTTJC-AZFUDACUSA-N 0 0 567.598 4.528 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690332 1066538089 /nfs/dbraw/zinc/53/80/89/1066538089.db2.gz UZVNTZIUAUTTJC-BYVAMKTGSA-N 0 0 567.598 4.528 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690333 1066538162 /nfs/dbraw/zinc/53/81/62/1066538162.db2.gz UZVNTZIUAUTTJC-PHSLVXOISA-N 0 0 567.598 4.528 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690334 1066538451 /nfs/dbraw/zinc/53/84/51/1066538451.db2.gz UZVNTZIUAUTTJC-UZNKMTRFSA-N 0 0 567.598 4.528 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690415 1066538055 /nfs/dbraw/zinc/53/80/55/1066538055.db2.gz VHAGAKMHYOWCGW-NAYJCMJVSA-N 0 0 581.625 4.836 40 5 KJBBRN CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690416 1066538020 /nfs/dbraw/zinc/53/80/20/1066538020.db2.gz VHAGAKMHYOWCGW-UIBNLCEQSA-N 0 0 581.625 4.836 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690417 1066538137 /nfs/dbraw/zinc/53/81/37/1066538137.db2.gz VHAGAKMHYOWCGW-ZLKNMDHISA-N 0 0 581.625 4.836 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690418 1066538068 /nfs/dbraw/zinc/53/80/68/1066538068.db2.gz VHAGAKMHYOWCGW-ZUBOCADSSA-N 0 0 581.625 4.836 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408690597 1066537798 /nfs/dbraw/zinc/53/77/98/1066537798.db2.gz WARIYACUSHNCFZ-MRVPVSSYSA-N 0 0 549.150 4.683 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000408690598 1066537720 /nfs/dbraw/zinc/53/77/20/1066537720.db2.gz WARIYACUSHNCFZ-QMMMGPOBSA-N 0 0 549.150 4.683 40 5 KJBBRN CCCC[C@@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690726 1066537465 /nfs/dbraw/zinc/53/74/65/1066537465.db2.gz WMUKVQQKUNLCDB-NSHXHUPESA-N 0 0 597.624 4.536 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690727 1066537386 /nfs/dbraw/zinc/53/73/86/1066537386.db2.gz WMUKVQQKUNLCDB-XIWHLEJHSA-N 0 0 597.624 4.536 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690728 1066537424 /nfs/dbraw/zinc/53/74/24/1066537424.db2.gz WMUKVQQKUNLCDB-XVLRFGCZSA-N 0 0 597.624 4.536 40 5 KJBBRN CCCC[C@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000408690729 1066537351 /nfs/dbraw/zinc/53/73/51/1066537351.db2.gz WMUKVQQKUNLCDB-ZERTYBAUSA-N 0 0 597.624 4.536 40 5 KJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000408710448 1066558956 /nfs/dbraw/zinc/55/89/56/1066558956.db2.gz DSVFYBDQIYSSCS-MDWZMJQESA-N 0 0 516.495 4.926 40 5 KJBBRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)s2)cc1 ZINC000408710451 1066558967 /nfs/dbraw/zinc/55/89/67/1066558967.db2.gz FLUKMYNRSOCMIT-UHFFFAOYSA-N 0 0 520.483 4.535 40 5 KJBBRN COc1cc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc(OC)c1OC ZINC000408710485 1066559162 /nfs/dbraw/zinc/55/91/62/1066559162.db2.gz VASLHRQFYBJYMD-UHFFFAOYSA-N 0 0 535.538 4.644 40 5 KJBBRN COc1cc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000408710486 1066559092 /nfs/dbraw/zinc/55/90/92/1066559092.db2.gz VCEGAFAVMWLALH-UHFFFAOYSA-N 0 0 535.538 4.644 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408711333 1066556891 /nfs/dbraw/zinc/55/68/91/1066556891.db2.gz JLFDOUXPIZQDAD-UHFFFAOYSA-N 0 0 621.015 4.781 40 5 KJBBRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)cc1OC ZINC000408713614 1066552927 /nfs/dbraw/zinc/55/29/27/1066552927.db2.gz OZNZJZUDDOECGU-UHFFFAOYSA-N 0 0 527.580 4.904 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408715072 1066549820 /nfs/dbraw/zinc/54/98/20/1066549820.db2.gz KYGFGVRCDQNTDM-UHFFFAOYSA-N 0 0 582.075 4.949 40 5 KJBBRN CCOc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000408715098 1066549711 /nfs/dbraw/zinc/54/97/11/1066549711.db2.gz ZALNDOBTGMCRPK-UHFFFAOYSA-N 0 0 576.071 4.908 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408724837 1066560358 /nfs/dbraw/zinc/56/03/58/1066560358.db2.gz DQOKJULSZZOZJM-JAYSWQADSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408724839 1066560331 /nfs/dbraw/zinc/56/03/31/1066560331.db2.gz DQOKJULSZZOZJM-KEQCBNTKSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408725216 1067168539 /nfs/dbraw/zinc/16/85/39/1067168539.db2.gz GALJDXDETQIGPJ-JAYSWQADSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408725217 1067168400 /nfs/dbraw/zinc/16/84/00/1067168400.db2.gz GALJDXDETQIGPJ-KEQCBNTKSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729019 1066570501 /nfs/dbraw/zinc/57/05/01/1066570501.db2.gz BTWMANKAPTVVTP-NFYDWNOTSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729022 1066570580 /nfs/dbraw/zinc/57/05/80/1066570580.db2.gz BTWMANKAPTVVTP-ZFWDJNJRSA-N 0 0 654.495 4.746 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 ZINC000408729204 1066570156 /nfs/dbraw/zinc/57/01/56/1066570156.db2.gz ALUXWNCZSNGEEB-BECWTDFISA-N 0 0 524.529 4.742 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 ZINC000408729206 1066570121 /nfs/dbraw/zinc/57/01/21/1066570121.db2.gz ALUXWNCZSNGEEB-HVLDEAOBSA-N 0 0 524.529 4.742 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 ZINC000408729210 1066570176 /nfs/dbraw/zinc/57/01/76/1066570176.db2.gz ALUXWNCZSNGEEB-OAHAWELDSA-N 0 0 524.529 4.742 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 ZINC000408729211 1066570132 /nfs/dbraw/zinc/57/01/32/1066570132.db2.gz ALUXWNCZSNGEEB-ZYEMSUIVSA-N 0 0 524.529 4.742 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc4c(c3)OCO4)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729218 1066570441 /nfs/dbraw/zinc/57/04/41/1066570441.db2.gz ANBFKLTUMLXSGO-IIMDPYCFSA-N 0 0 643.674 4.522 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc4c(c3)OCO4)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729221 1066570591 /nfs/dbraw/zinc/57/05/91/1066570591.db2.gz ANBFKLTUMLXSGO-ONOZBBEISA-N 0 0 643.674 4.522 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729317 1066570177 /nfs/dbraw/zinc/57/01/77/1066570177.db2.gz DOQWOMPEGQYLDF-MFUBYVTQSA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729320 1066570108 /nfs/dbraw/zinc/57/01/08/1066570108.db2.gz DOQWOMPEGQYLDF-RWTNITNYSA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408729612 1066570168 /nfs/dbraw/zinc/57/01/68/1066570168.db2.gz CTCNLOIEVVRIFL-VPHSIRQSSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408729615 1066570162 /nfs/dbraw/zinc/57/01/62/1066570162.db2.gz CTCNLOIEVVRIFL-YVBHXKDBSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729812 1066570085 /nfs/dbraw/zinc/57/00/85/1066570085.db2.gz DJLBVUKREBNXBB-VPHSIRQSSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408729813 1066570151 /nfs/dbraw/zinc/57/01/51/1066570151.db2.gz DJLBVUKREBNXBB-YVBHXKDBSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408729825 1066569668 /nfs/dbraw/zinc/56/96/68/1066569668.db2.gz DLMQGHPYZSOUSH-PKYOQBLNSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408729827 1066569821 /nfs/dbraw/zinc/56/98/21/1066569821.db2.gz DLMQGHPYZSOUSH-USDTVRPUSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729856 1066569744 /nfs/dbraw/zinc/56/97/44/1066569744.db2.gz KBAJCWCMBBHALG-MFUBYVTQSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408729858 1066569663 /nfs/dbraw/zinc/56/96/63/1066569663.db2.gz KBAJCWCMBBHALG-RWTNITNYSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OCC)c3)sc2=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730150 1066569214 /nfs/dbraw/zinc/56/92/14/1066569214.db2.gz FWCOFMAXZRWDJF-BXMULHQWSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OCC)c3)sc2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730152 1066569333 /nfs/dbraw/zinc/56/93/33/1066569333.db2.gz FWCOFMAXZRWDJF-FZEVDNDPSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730219 1066197158 /nfs/dbraw/zinc/19/71/58/1066197158.db2.gz PALQOQDLLNUECB-IGSWSUAKSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730221 1066569346 /nfs/dbraw/zinc/56/93/46/1066569346.db2.gz PALQOQDLLNUECB-YMSBRDKKSA-N 0 0 594.443 4.729 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 ZINC000408730339 1066568694 /nfs/dbraw/zinc/56/86/94/1066568694.db2.gz FTLJTVDKWRXJOU-BECWTDFISA-N 0 0 524.529 4.742 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 ZINC000408730342 1066569371 /nfs/dbraw/zinc/56/93/71/1066569371.db2.gz FTLJTVDKWRXJOU-HVLDEAOBSA-N 0 0 524.529 4.742 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 ZINC000408730344 1066569276 /nfs/dbraw/zinc/56/92/76/1066569276.db2.gz FTLJTVDKWRXJOU-OAHAWELDSA-N 0 0 524.529 4.742 40 5 KJBBRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 ZINC000408730346 1066569289 /nfs/dbraw/zinc/56/92/89/1066569289.db2.gz FTLJTVDKWRXJOU-ZYEMSUIVSA-N 0 0 524.529 4.742 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730609 1066568419 /nfs/dbraw/zinc/56/84/19/1066568419.db2.gz RXIGYWPHKYJAAU-MFUBYVTQSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730610 1066568430 /nfs/dbraw/zinc/56/84/30/1066568430.db2.gz RXIGYWPHKYJAAU-RWTNITNYSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730618 1066568288 /nfs/dbraw/zinc/56/82/88/1066568288.db2.gz SDVJVKIQNMLXRL-PLQXQRLBSA-N 0 0 671.469 4.580 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730619 1066568734 /nfs/dbraw/zinc/56/87/34/1066568734.db2.gz SDVJVKIQNMLXRL-VVNKCDPRSA-N 0 0 671.469 4.580 40 5 KJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21 ZINC000408730782 1066568372 /nfs/dbraw/zinc/56/83/72/1066568372.db2.gz HUHNJTRERQCSPL-KDIYZHFBSA-N 0 0 558.930 4.807 40 5 KJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21 ZINC000408730784 1066568436 /nfs/dbraw/zinc/56/84/36/1066568436.db2.gz HUHNJTRERQCSPL-OMXCYLSJSA-N 0 0 558.930 4.807 40 5 KJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]21 ZINC000408730786 1066568255 /nfs/dbraw/zinc/56/82/55/1066568255.db2.gz HUHNJTRERQCSPL-OPZARENCSA-N 0 0 558.930 4.807 40 5 KJBBRN Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]21 ZINC000408730787 1066568395 /nfs/dbraw/zinc/56/83/95/1066568395.db2.gz HUHNJTRERQCSPL-ZXHXWWIOSA-N 0 0 558.930 4.807 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730887 1066568010 /nfs/dbraw/zinc/56/80/10/1066568010.db2.gz VIQAXMYNSHZCOU-NFYDWNOTSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000408730888 1066567933 /nfs/dbraw/zinc/56/79/33/1066567933.db2.gz VIQAXMYNSHZCOU-ZFWDJNJRSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730989 1066567977 /nfs/dbraw/zinc/56/79/77/1066567977.db2.gz XLNXPPJZJJVJEE-IGSWSUAKSA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730991 1066567879 /nfs/dbraw/zinc/56/78/79/1066567879.db2.gz XLNXPPJZJJVJEE-YMSBRDKKSA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(O)c(OC)c1 ZINC000408731499 1066567452 /nfs/dbraw/zinc/56/74/52/1066567452.db2.gz NAIRBNVNZTVKBA-FJNIOPPGSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(O)c(OC)c1 ZINC000408731500 1066567425 /nfs/dbraw/zinc/56/74/25/1066567425.db2.gz NAIRBNVNZTVKBA-TZUCAZQYSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408731641 1066567487 /nfs/dbraw/zinc/56/74/87/1066567487.db2.gz OHXDVXZRKNLEAE-HDFSHUSISA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)sc2=N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000408731642 1066567403 /nfs/dbraw/zinc/56/74/03/1066567403.db2.gz OHXDVXZRKNLEAE-LAUBZIAYSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000408731678 1066567571 /nfs/dbraw/zinc/56/75/71/1066567571.db2.gz OVEACZXDEPHIGJ-VPHSIRQSSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000408731679 1066567463 /nfs/dbraw/zinc/56/74/63/1066567463.db2.gz OVEACZXDEPHIGJ-YVBHXKDBSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OCC)c3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731829 1066567062 /nfs/dbraw/zinc/56/70/62/1066567062.db2.gz QCVQPJAYCOGKNT-OCDQFKQQSA-N 0 0 659.717 4.897 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OCC)c3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408731830 1066567075 /nfs/dbraw/zinc/56/70/75/1066567075.db2.gz QCVQPJAYCOGKNT-OKMHPQNISA-N 0 0 659.717 4.897 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(O)c(OCC)c1 ZINC000408732108 1066567106 /nfs/dbraw/zinc/56/71/06/1066567106.db2.gz SDHOYIPYLDEXIC-FJNIOPPGSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(O)c(OCC)c1 ZINC000408732109 1066567011 /nfs/dbraw/zinc/56/70/11/1066567011.db2.gz SDHOYIPYLDEXIC-TZUCAZQYSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408732114 1066566920 /nfs/dbraw/zinc/56/69/20/1066566920.db2.gz SFGPZMDCOXEGEC-OBDCIHEFSA-N 0 0 629.691 4.802 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(OC)cc1 ZINC000408732115 1066567050 /nfs/dbraw/zinc/56/70/50/1066567050.db2.gz SFGPZMDCOXEGEC-SJXDCSIJSA-N 0 0 629.691 4.802 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(O)c(OCC)c1 ZINC000408732136 1066566975 /nfs/dbraw/zinc/56/69/75/1066566975.db2.gz SMTUZYSIOHMTQG-OIUASMPBSA-N 0 0 659.717 4.897 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(O)c(OCC)c1 ZINC000408732137 1066567134 /nfs/dbraw/zinc/56/71/34/1066567134.db2.gz SMTUZYSIOHMTQG-QQMBNGEASA-N 0 0 659.717 4.897 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408732146 1066567000 /nfs/dbraw/zinc/56/70/00/1066567000.db2.gz STHOHHHUZWEXTL-PKYOQBLNSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408732147 1066567095 /nfs/dbraw/zinc/56/70/95/1066567095.db2.gz STHOHHHUZWEXTL-USDTVRPUSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732291 1066566494 /nfs/dbraw/zinc/56/64/94/1066566494.db2.gz TYBPEJKSDBEWSM-FJNIOPPGSA-N 0 0 629.691 4.802 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732292 1066566440 /nfs/dbraw/zinc/56/64/40/1066566440.db2.gz TYBPEJKSDBEWSM-TZUCAZQYSA-N 0 0 629.691 4.802 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732530 1066566635 /nfs/dbraw/zinc/56/66/35/1066566635.db2.gz WKDJIBWDJQDLCY-QUNTYYFUSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732531 1066566500 /nfs/dbraw/zinc/56/65/00/1066566500.db2.gz WKDJIBWDJQDLCY-SZYVSPPHSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732696 1066566548 /nfs/dbraw/zinc/56/65/48/1066566548.db2.gz XNXLBMLYGIWRJZ-QUNTYYFUSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408732697 1066566475 /nfs/dbraw/zinc/56/64/75/1066566475.db2.gz XNXLBMLYGIWRJZ-SZYVSPPHSA-N 0 0 644.662 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccc2c(c1)OCO2 ZINC000408732722 1066566458 /nfs/dbraw/zinc/56/64/58/1066566458.db2.gz XWIINULOVSBXBB-BXMULHQWSA-N 0 0 643.674 4.522 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc2c(c1)OCO2 ZINC000408732723 1066566577 /nfs/dbraw/zinc/56/65/77/1066566577.db2.gz XWIINULOVSBXBB-FZEVDNDPSA-N 0 0 643.674 4.522 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3[N+](=O)[O-])sc2=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408732824 1066566164 /nfs/dbraw/zinc/56/61/64/1066566164.db2.gz ZSEKYVOAUULZNC-HDFSHUSISA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3[N+](=O)[O-])sc2=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408732826 1066566564 /nfs/dbraw/zinc/56/65/64/1066566564.db2.gz ZSEKYVOAUULZNC-LAUBZIAYSA-N 0 0 599.665 4.793 40 5 KJBBRN CCN(CC)c1ccc(-n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n(-c2ccc(N(CC)CC)cc2)c4=O)cc1 ZINC000408732881 1066566425 /nfs/dbraw/zinc/56/64/25/1066566425.db2.gz UIDXDGGCAQZWGA-UHFFFAOYSA-N 0 0 560.654 4.736 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408732883 1066566114 /nfs/dbraw/zinc/56/61/14/1066566114.db2.gz AGEBTTNISLIKFL-NFYDWNOTSA-N 0 0 685.496 4.888 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408732885 1066566196 /nfs/dbraw/zinc/56/61/96/1066566196.db2.gz AGEBTTNISLIKFL-ZFWDJNJRSA-N 0 0 685.496 4.888 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732887 1066566070 /nfs/dbraw/zinc/56/60/70/1066566070.db2.gz AGOCGBBOLKJNRX-QJWUKVPRSA-N 0 0 721.913 4.939 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732889 1066566118 /nfs/dbraw/zinc/56/61/18/1066566118.db2.gz AGOCGBBOLKJNRX-ZYDFGXJWSA-N 0 0 721.913 4.939 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732945 1066566020 /nfs/dbraw/zinc/56/60/20/1066566020.db2.gz BNPWPWWOCYYOEJ-DKOMQPSQSA-N 0 0 594.989 4.528 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732947 1066566206 /nfs/dbraw/zinc/56/62/06/1066566206.db2.gz BNPWPWWOCYYOEJ-IZBTWGKQSA-N 0 0 594.989 4.528 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732980 1066566060 /nfs/dbraw/zinc/56/60/60/1066566060.db2.gz CDECMALHMJALFD-PLQXQRLBSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732982 1066566189 /nfs/dbraw/zinc/56/61/89/1066566189.db2.gz CDECMALHMJALFD-VVNKCDPRSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408732999 1066566043 /nfs/dbraw/zinc/56/60/43/1066566043.db2.gz CPDSDMBQYBVXJX-QJWUKVPRSA-N 0 0 691.887 4.930 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733001 1066566213 /nfs/dbraw/zinc/56/62/13/1066566213.db2.gz CPDSDMBQYBVXJX-ZYDFGXJWSA-N 0 0 691.887 4.930 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733042 1066565654 /nfs/dbraw/zinc/56/56/54/1066565654.db2.gz DQPNYKRQOWLOMB-NFYDWNOTSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733043 1066565517 /nfs/dbraw/zinc/56/55/17/1066565517.db2.gz DQPNYKRQOWLOMB-ZFWDJNJRSA-N 0 0 610.044 4.637 40 5 KJBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1cc(OCC)c(OCc3ccccc3)cc1[N+](=O)[O-])N=2 ZINC000408733061 1066565578 /nfs/dbraw/zinc/56/55/78/1066565578.db2.gz VLYURIYZRJFPLB-QARYAGPDSA-N 0 0 565.648 4.545 40 5 KJBBRN CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1cc(OCC)c(OCc3ccccc3)cc1[N+](=O)[O-])N=2 ZINC000408733062 1066566148 /nfs/dbraw/zinc/56/61/48/1066566148.db2.gz VLYURIYZRJFPLB-ZSJKCPIUSA-N 0 0 565.648 4.545 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733163 1066566101 /nfs/dbraw/zinc/56/61/01/1066566101.db2.gz FMXNBBVFORVWRR-PLQXQRLBSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733165 1066566154 /nfs/dbraw/zinc/56/61/54/1066566154.db2.gz FMXNBBVFORVWRR-VVNKCDPRSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733244 1066565606 /nfs/dbraw/zinc/56/56/06/1066565606.db2.gz GYXZNFXMSJKVMA-MFUBYVTQSA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733245 1066565696 /nfs/dbraw/zinc/56/56/96/1066565696.db2.gz GYXZNFXMSJKVMA-RWTNITNYSA-N 0 0 549.992 4.620 40 5 KJBBRN Cc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c5ccc(c2=O)c3c45)cc1Cl ZINC000408733298 1066565589 /nfs/dbraw/zinc/56/55/89/1066565589.db2.gz XEHQSFDFGIBNGS-UHFFFAOYSA-N 0 0 515.352 4.968 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733387 1066565711 /nfs/dbraw/zinc/56/57/11/1066565711.db2.gz HYHPIVYYFWGJSP-PLQXQRLBSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733388 1066565504 /nfs/dbraw/zinc/56/55/04/1066565504.db2.gz HYHPIVYYFWGJSP-VVNKCDPRSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733614 1066562736 /nfs/dbraw/zinc/56/27/36/1066562736.db2.gz MHRWYWOHAXLGEC-DHBMHUTOSA-N 0 0 652.479 4.766 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733615 1066562901 /nfs/dbraw/zinc/56/29/01/1066562901.db2.gz MHRWYWOHAXLGEC-KVDRYIPSSA-N 0 0 652.479 4.766 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733626 1066562726 /nfs/dbraw/zinc/56/27/26/1066562726.db2.gz MZCFNHUUNDRXKJ-DKOMQPSQSA-N 0 0 567.982 4.759 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733627 1066562883 /nfs/dbraw/zinc/56/28/83/1066562883.db2.gz MZCFNHUUNDRXKJ-IZBTWGKQSA-N 0 0 567.982 4.759 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733632 1066562763 /nfs/dbraw/zinc/56/27/63/1066562763.db2.gz NEFQFRJOSZFPLO-PLQXQRLBSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733633 1066562857 /nfs/dbraw/zinc/56/28/57/1066562857.db2.gz NEFQFRJOSZFPLO-VVNKCDPRSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733638 1066562772 /nfs/dbraw/zinc/56/27/72/1066562772.db2.gz NIYYGFODLDGYKE-PLQXQRLBSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733639 1066562850 /nfs/dbraw/zinc/56/28/50/1066562850.db2.gz NIYYGFODLDGYKE-VVNKCDPRSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733684 1066562678 /nfs/dbraw/zinc/56/26/78/1066562678.db2.gz ZODKPWDCSKWMOU-BXMULHQWSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(O)c(OC)c3)sc2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408733685 1066562820 /nfs/dbraw/zinc/56/28/20/1066562820.db2.gz ZODKPWDCSKWMOU-FZEVDNDPSA-N 0 0 645.690 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733740 1066562804 /nfs/dbraw/zinc/56/28/04/1066562804.db2.gz PMUHKEKZSUTCKS-UTWPHBJQSA-N 0 0 654.495 4.752 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733741 1066562689 /nfs/dbraw/zinc/56/26/89/1066562689.db2.gz PMUHKEKZSUTCKS-VPVLBGOXSA-N 0 0 654.495 4.752 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733767 1066565559 /nfs/dbraw/zinc/56/55/59/1066565559.db2.gz QCFDZLLXGVDTLO-QARYAGPDSA-N 0 0 543.601 4.583 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733768 1066565670 /nfs/dbraw/zinc/56/56/70/1066565670.db2.gz QCFDZLLXGVDTLO-ZSJKCPIUSA-N 0 0 543.601 4.583 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733914 1066565206 /nfs/dbraw/zinc/56/52/06/1066565206.db2.gz RRBMAKZWHMBBKY-UTWPHBJQSA-N 0 0 701.495 4.594 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408733915 1066565184 /nfs/dbraw/zinc/56/51/84/1066565184.db2.gz RRBMAKZWHMBBKY-VPVLBGOXSA-N 0 0 701.495 4.594 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733933 1066565152 /nfs/dbraw/zinc/56/51/52/1066565152.db2.gz SEASWLSJRVJTBR-NFYDWNOTSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733934 1066565178 /nfs/dbraw/zinc/56/51/78/1066565178.db2.gz SEASWLSJRVJTBR-ZFWDJNJRSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733969 1066565212 /nfs/dbraw/zinc/56/52/12/1066565212.db2.gz TVXKTDCCLUNRMY-AUTFUCJRSA-N 0 0 655.041 4.545 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733970 1066565231 /nfs/dbraw/zinc/56/52/31/1066565231.db2.gz TVXKTDCCLUNRMY-MQIAMDAWSA-N 0 0 655.041 4.545 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734016 1066565120 /nfs/dbraw/zinc/56/51/20/1066565120.db2.gz UWNVXPMXLNLMGU-UTWPHBJQSA-N 0 0 624.469 4.743 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734017 1066565640 /nfs/dbraw/zinc/56/56/40/1066565640.db2.gz UWNVXPMXLNLMGU-VPVLBGOXSA-N 0 0 624.469 4.743 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734255 1066565220 /nfs/dbraw/zinc/56/52/20/1066565220.db2.gz VTHDOVDOQSGEPU-PLQXQRLBSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408734257 1066565145 /nfs/dbraw/zinc/56/51/45/1066565145.db2.gz VTHDOVDOQSGEPU-VVNKCDPRSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735228 1066564365 /nfs/dbraw/zinc/56/43/65/1066564365.db2.gz OTLJANRHEFYXRW-ASZNLBCTSA-N 0 0 603.653 4.764 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735231 1066564377 /nfs/dbraw/zinc/56/43/77/1066564377.db2.gz OTLJANRHEFYXRW-YNMQQHPQSA-N 0 0 603.653 4.764 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735582 1066564368 /nfs/dbraw/zinc/56/43/68/1066564368.db2.gz USRXZLWARIMQQL-ASZNLBCTSA-N 0 0 603.653 4.764 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735583 1066564258 /nfs/dbraw/zinc/56/42/58/1066564258.db2.gz USRXZLWARIMQQL-YNMQQHPQSA-N 0 0 603.653 4.764 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735619 1066564251 /nfs/dbraw/zinc/56/42/51/1066564251.db2.gz VBMMWXLIYTZANS-PKYOQBLNSA-N 0 0 633.679 4.773 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735623 1066564324 /nfs/dbraw/zinc/56/43/24/1066564324.db2.gz VBMMWXLIYTZANS-USDTVRPUSA-N 0 0 633.679 4.773 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408737180 1066562829 /nfs/dbraw/zinc/56/28/29/1066562829.db2.gz ACQINOKRYPGYBS-BIWBSIMWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408737183 1066563208 /nfs/dbraw/zinc/56/32/08/1066563208.db2.gz ACQINOKRYPGYBS-ZGOFBEGVSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738222 1066573086 /nfs/dbraw/zinc/57/30/86/1066573086.db2.gz JHRHANSSYUFHGD-JLKMOJGBSA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738225 1066573169 /nfs/dbraw/zinc/57/31/69/1066573169.db2.gz JHRHANSSYUFHGD-UNDLXJOSSA-N 0 0 629.691 4.693 40 5 KJBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1)OCc1ccccc1 ZINC000408738360 1066572668 /nfs/dbraw/zinc/57/26/68/1066572668.db2.gz RPXQIBACAIPWJF-NRFANRHFSA-N 0 0 545.333 4.676 40 5 KJBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1)OCc1ccccc1 ZINC000408738362 1066572816 /nfs/dbraw/zinc/57/28/16/1066572816.db2.gz RPXQIBACAIPWJF-OAQYLSRUSA-N 0 0 545.333 4.676 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738572 1066572707 /nfs/dbraw/zinc/57/27/07/1066572707.db2.gz MEIWFBCUFFENBJ-BIWBSIMWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738573 1066572768 /nfs/dbraw/zinc/57/27/68/1066572768.db2.gz MEIWFBCUFFENBJ-ZGOFBEGVSA-N 0 0 573.627 4.674 40 5 KJBBRN Cc1cc(I)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408738813 1066572289 /nfs/dbraw/zinc/57/22/89/1066572289.db2.gz VSYCVGXCWKLWQF-JOCHJYFZSA-N 0 0 559.360 4.984 40 5 KJBBRN Cc1cc(I)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408738814 1066572271 /nfs/dbraw/zinc/57/22/71/1066572271.db2.gz VSYCVGXCWKLWQF-QFIPXVFZSA-N 0 0 559.360 4.984 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408738971 1066572332 /nfs/dbraw/zinc/57/23/32/1066572332.db2.gz QSKUZYDAGOUUGP-HDFSHUSISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408738972 1066572365 /nfs/dbraw/zinc/57/23/65/1066572365.db2.gz QSKUZYDAGOUUGP-LAUBZIAYSA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739040 1066571879 /nfs/dbraw/zinc/57/18/79/1066571879.db2.gz RYKJWUZAJMBHBF-OBDCIHEFSA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739041 1066571789 /nfs/dbraw/zinc/57/17/89/1066571789.db2.gz RYKJWUZAJMBHBF-SJXDCSIJSA-N 0 0 629.691 4.693 40 5 KJBBRN O=C(COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000408739123 1066571931 /nfs/dbraw/zinc/57/19/31/1066571931.db2.gz XWUCIQGXFKGEPR-HHHXNRCGSA-N 0 0 567.554 4.789 40 5 KJBBRN O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000408739124 1066571847 /nfs/dbraw/zinc/57/18/47/1066571847.db2.gz XWUCIQGXFKGEPR-MHZLTWQESA-N 0 0 567.554 4.789 40 5 KJBBRN O=C(COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000408739149 1066571959 /nfs/dbraw/zinc/57/19/59/1066571959.db2.gz YLJORBGERGQYHH-HHHXNRCGSA-N 0 0 522.557 4.880 40 5 KJBBRN O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000408739150 1066572379 /nfs/dbraw/zinc/57/23/79/1066572379.db2.gz YLJORBGERGQYHH-MHZLTWQESA-N 0 0 522.557 4.880 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739482 1066571398 /nfs/dbraw/zinc/57/13/98/1066571398.db2.gz WRFOIDHIIWTHTR-HDFSHUSISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739483 1066571505 /nfs/dbraw/zinc/57/15/05/1066571505.db2.gz WRFOIDHIIWTHTR-LAUBZIAYSA-N 0 0 599.665 4.684 40 5 KJBBRN COc1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408748625 1066583750 /nfs/dbraw/zinc/58/37/50/1066583750.db2.gz BFQROORACPLGEO-UHFFFAOYSA-N 0 0 520.548 4.745 40 5 KJBBRN 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/nfs/dbraw/zinc/59/57/05/1066595705.db2.gz LWMWQALGHQFHHR-HVDVVURSSA-N 0 0 682.736 4.558 40 5 KJBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c1 ZINC000408769205 1066595822 /nfs/dbraw/zinc/59/58/22/1066595822.db2.gz LWMWQALGHQFHHR-WOSHRIRTSA-N 0 0 682.736 4.558 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769972 1066590092 /nfs/dbraw/zinc/59/00/92/1066590092.db2.gz RHBKJIRKAWGUAJ-BHFPBWTASA-N 0 0 758.625 4.562 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769973 1066590610 /nfs/dbraw/zinc/59/06/10/1066590610.db2.gz RHBKJIRKAWGUAJ-HWMKKPCCSA-N 0 0 758.625 4.562 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770104 1066590104 /nfs/dbraw/zinc/59/01/04/1066590104.db2.gz 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408773381 1066229424 /nfs/dbraw/zinc/22/94/24/1066229424.db2.gz QUBABUUXJXPUSW-ZGOFBEGVSA-N 0 0 615.689 4.648 40 5 KJBBRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC(C)=O ZINC000408774614 1066592080 /nfs/dbraw/zinc/59/20/80/1066592080.db2.gz PYMBCQIQCLZBCE-LXYLXTGBSA-N 0 0 632.492 4.923 40 5 KJBBRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC(C)=O ZINC000408774647 1066230278 /nfs/dbraw/zinc/23/02/78/1066230278.db2.gz PYMBCQIQCLZBCE-XGLZOBASSA-N 0 0 632.492 4.923 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408776508 1066591177 /nfs/dbraw/zinc/59/11/77/1066591177.db2.gz ZXYVNLPGNMQWOE-PKYOQBLNSA-N 0 0 617.655 4.823 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408776513 1066591061 /nfs/dbraw/zinc/59/10/61/1066591061.db2.gz ZXYVNLPGNMQWOE-USDTVRPUSA-N 0 0 617.655 4.823 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408779199 1066599325 /nfs/dbraw/zinc/59/93/25/1066599325.db2.gz BRSCNOZSQDHXJJ-CBPRFPNYSA-N 0 0 685.711 4.751 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408779202 1066599466 /nfs/dbraw/zinc/59/94/66/1066599466.db2.gz BRSCNOZSQDHXJJ-ZRYJBNJPSA-N 0 0 685.711 4.751 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408781724 1066598360 /nfs/dbraw/zinc/59/83/60/1066598360.db2.gz DHNBSSSFLBIMRQ-FUFNRSNVSA-N 0 0 665.771 4.505 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408781729 1066598372 /nfs/dbraw/zinc/59/83/72/1066598372.db2.gz DHNBSSSFLBIMRQ-PRLWALMFSA-N 0 0 665.771 4.505 40 5 KJBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n32)c1 ZINC000408782099 1066597920 /nfs/dbraw/zinc/59/79/20/1066597920.db2.gz VRYNPNDRNBMQMU-UHAPOFRNSA-N 0 0 705.774 4.982 40 5 KJBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n32)c1 ZINC000408782104 1066597811 /nfs/dbraw/zinc/59/78/11/1066597811.db2.gz VRYNPNDRNBMQMU-VSQRRKBNSA-N 0 0 705.774 4.982 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408783454 1066602884 /nfs/dbraw/zinc/60/28/84/1066602884.db2.gz PGOZFOUBXYLBGF-MFUBYVTQSA-N 0 0 567.982 4.759 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408783456 1066602849 /nfs/dbraw/zinc/60/28/49/1066602849.db2.gz PGOZFOUBXYLBGF-RWTNITNYSA-N 0 0 567.982 4.759 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408784841 1066602382 /nfs/dbraw/zinc/60/23/82/1066602382.db2.gz UFODPTOLLARDES-IYVASWNSSA-N 0 0 634.598 4.555 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408784845 1066602332 /nfs/dbraw/zinc/60/23/32/1066602332.db2.gz UFODPTOLLARDES-ORVZPOCUSA-N 0 0 634.598 4.555 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408786935 1066232908 /nfs/dbraw/zinc/23/29/08/1066232908.db2.gz YCHSEKVEDWPKFO-QARYAGPDSA-N 0 0 604.572 4.546 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408786936 1066233037 /nfs/dbraw/zinc/23/30/37/1066233037.db2.gz YCHSEKVEDWPKFO-ZSJKCPIUSA-N 0 0 604.572 4.546 40 5 KJBBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408791170 1066604835 /nfs/dbraw/zinc/60/48/35/1066604835.db2.gz VDCZYVHNRUTSFP-VEOZPNHKSA-N 0 0 526.618 4.666 40 5 KJBBRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000408791171 1066604961 /nfs/dbraw/zinc/60/49/61/1066604961.db2.gz VDCZYVHNRUTSFP-ZEKHAJRLSA-N 0 0 526.618 4.666 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408810444 1066238395 /nfs/dbraw/zinc/23/83/95/1066238395.db2.gz JUUURDWQUNTMMM-YVLHZVERSA-N 0 0 540.335 4.843 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408813017 1066615774 /nfs/dbraw/zinc/61/57/74/1066615774.db2.gz DDICXSXIACZVDN-VIZOYTHASA-N 0 0 557.278 4.575 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408813588 1066615102 /nfs/dbraw/zinc/61/51/02/1066615102.db2.gz OKEFUSAEKZPUKT-MFUBYVTQSA-N 0 0 567.982 4.759 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408813595 1066615140 /nfs/dbraw/zinc/61/51/40/1066615140.db2.gz OKEFUSAEKZPUKT-RWTNITNYSA-N 0 0 567.982 4.759 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408817572 1066626380 /nfs/dbraw/zinc/62/63/80/1066626380.db2.gz NOQXBLZWCMERCW-YVLHZVERSA-N 0 0 540.335 4.843 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(C)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408820535 1066624204 /nfs/dbraw/zinc/62/42/04/1066624204.db2.gz WWBWSNMOCGIBBP-CHHVJCJISA-N 0 0 510.278 4.733 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408821693 1066622954 /nfs/dbraw/zinc/62/29/54/1066622954.db2.gz AEUNNXBEESPADI-CRCYZHLCSA-N 0 0 557.628 4.892 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408821694 1066622936 /nfs/dbraw/zinc/62/29/36/1066622936.db2.gz AEUNNXBEESPADI-FQKMCRJQSA-N 0 0 557.628 4.892 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408821704 1066241217 /nfs/dbraw/zinc/24/12/17/1066241217.db2.gz AHNSGKPOZIGABY-RGFRMHDHSA-N 0 0 569.639 4.594 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408821705 1066622981 /nfs/dbraw/zinc/62/29/81/1066622981.db2.gz AHNSGKPOZIGABY-XQNWCSQWSA-N 0 0 569.639 4.594 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823972 1066621273 /nfs/dbraw/zinc/62/12/73/1066621273.db2.gz HDGDMIPLAMLUGT-HRIDGTDGSA-N 0 0 599.665 4.603 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823974 1066621334 /nfs/dbraw/zinc/62/13/34/1066621334.db2.gz HDGDMIPLAMLUGT-NULZLWRNSA-N 0 0 599.665 4.603 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824651 1066242639 /nfs/dbraw/zinc/24/26/39/1066242639.db2.gz IUGKMTZFDSFDOT-AQIZGWBQSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824653 1066243108 /nfs/dbraw/zinc/24/31/08/1066243108.db2.gz IUGKMTZFDSFDOT-ZDGAQAAHSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824738 1066619545 /nfs/dbraw/zinc/61/95/45/1066619545.db2.gz JFGNLNUYYRERCD-MFCBUNOESA-N 0 0 557.628 4.892 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824741 1066619559 /nfs/dbraw/zinc/61/95/59/1066619559.db2.gz JFGNLNUYYRERCD-SUAMDDGLSA-N 0 0 557.628 4.892 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408825243 1066627839 /nfs/dbraw/zinc/62/78/39/1066627839.db2.gz RSMVXSJNPBDVSE-LMSRTUJASA-N 0 0 543.601 4.583 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408825247 1066243314 /nfs/dbraw/zinc/24/33/14/1066243314.db2.gz RSMVXSJNPBDVSE-RISWYLRJSA-N 0 0 543.601 4.583 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408825286 1066627850 /nfs/dbraw/zinc/62/78/50/1066627850.db2.gz RWGYCKYGVREKQK-HDFSHUSISA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408825287 1066627879 /nfs/dbraw/zinc/62/78/79/1066627879.db2.gz RWGYCKYGVREKQK-LAUBZIAYSA-N 0 0 629.691 4.693 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408825506 1066627898 /nfs/dbraw/zinc/62/78/98/1066627898.db2.gz DMAXZUBNRIATPD-QARYAGPDSA-N 0 0 577.590 4.503 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000408825511 1066243224 /nfs/dbraw/zinc/24/32/24/1066243224.db2.gz DMAXZUBNRIATPD-ZSJKCPIUSA-N 0 0 577.590 4.503 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408826194 1066242002 /nfs/dbraw/zinc/24/20/02/1066242002.db2.gz SYNUGVVUNSORAM-AFHVAHMMSA-N 0 0 620.909 4.910 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408826199 1066627022 /nfs/dbraw/zinc/62/70/22/1066627022.db2.gz SYNUGVVUNSORAM-ZRELAVNMSA-N 0 0 620.909 4.910 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408826339 1066629014 /nfs/dbraw/zinc/62/90/14/1066629014.db2.gz GHAOBVRIBNBREA-CBYYHRJHSA-N 0 0 579.631 4.828 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408826351 1066241893 /nfs/dbraw/zinc/24/18/93/1066241893.db2.gz GHAOBVRIBNBREA-PNZYDNNZSA-N 0 0 579.631 4.828 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408826597 1066629074 /nfs/dbraw/zinc/62/90/74/1066629074.db2.gz HJSTXFDIAPAAQF-FUFNRSNVSA-N 0 0 603.653 4.682 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408826599 1066628998 /nfs/dbraw/zinc/62/89/98/1066628998.db2.gz HJSTXFDIAPAAQF-PRLWALMFSA-N 0 0 603.653 4.682 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408826726 1066629048 /nfs/dbraw/zinc/62/90/48/1066629048.db2.gz KPVFPCDGRCQOON-QPJBPQEWSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408826728 1066629034 /nfs/dbraw/zinc/62/90/34/1066629034.db2.gz KPVFPCDGRCQOON-QTTRZTASSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826817 1066628380 /nfs/dbraw/zinc/62/83/80/1066628380.db2.gz LJWXTCUSWMMGPY-QCHPHUCNSA-N 0 0 600.491 4.565 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826819 1066628334 /nfs/dbraw/zinc/62/83/34/1066628334.db2.gz LJWXTCUSWMMGPY-VZIOXZNFSA-N 0 0 600.491 4.565 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408827004 1066628306 /nfs/dbraw/zinc/62/83/06/1066628306.db2.gz KAHIJBIWACTMLP-IGSWSUAKSA-N 0 0 630.517 4.655 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408827009 1066242545 /nfs/dbraw/zinc/24/25/45/1066242545.db2.gz KAHIJBIWACTMLP-YMSBRDKKSA-N 0 0 630.517 4.655 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000408827432 1066644025 /nfs/dbraw/zinc/64/40/25/1066644025.db2.gz JQPLQKHTZHSWLN-UPWSPCOFSA-N 0 0 601.637 4.784 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)sc2=N1 ZINC000408827438 1066644045 /nfs/dbraw/zinc/64/40/45/1066644045.db2.gz JQPLQKHTZHSWLN-ZJTZAHLKSA-N 0 0 601.637 4.784 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408827764 1066643985 /nfs/dbraw/zinc/64/39/85/1066643985.db2.gz MEOPVQPJRNFQPH-BIWBSIMWSA-N 0 0 620.083 4.948 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408827768 1066644104 /nfs/dbraw/zinc/64/41/04/1066644104.db2.gz MEOPVQPJRNFQPH-ZGOFBEGVSA-N 0 0 620.083 4.948 40 5 KJBBRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1[N+](=O)[O-] ZINC000408828298 1066632947 /nfs/dbraw/zinc/63/29/47/1066632947.db2.gz JLSGRAMUHSIGOU-PETIARSGSA-N 0 0 718.888 4.607 40 5 KJBBRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)cc1[N+](=O)[O-] ZINC000408828303 1066633680 /nfs/dbraw/zinc/63/36/80/1066633680.db2.gz JLSGRAMUHSIGOU-VTCDDQIKSA-N 0 0 718.888 4.607 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408829022 1066642786 /nfs/dbraw/zinc/64/27/86/1066642786.db2.gz NSEBOVTXVQPKAW-MFCBUNOESA-N 0 0 607.616 4.513 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408829026 1066243690 /nfs/dbraw/zinc/24/36/90/1066243690.db2.gz NSEBOVTXVQPKAW-SUAMDDGLSA-N 0 0 607.616 4.513 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408829157 1066243849 /nfs/dbraw/zinc/24/38/49/1066243849.db2.gz KUMDEPIGJSMISE-LMSRTUJASA-N 0 0 575.668 4.997 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408829162 1066243830 /nfs/dbraw/zinc/24/38/30/1066243830.db2.gz KUMDEPIGJSMISE-RISWYLRJSA-N 0 0 575.668 4.997 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408829217 1066642770 /nfs/dbraw/zinc/64/27/70/1066642770.db2.gz OLSVZBIPIMEUDK-AUTFUCJRSA-N 0 0 672.485 4.885 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408829221 1066642796 /nfs/dbraw/zinc/64/27/96/1066642796.db2.gz OLSVZBIPIMEUDK-MQIAMDAWSA-N 0 0 672.485 4.885 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408829438 1066642228 /nfs/dbraw/zinc/64/22/28/1066642228.db2.gz MUIVUXRPDHRRSB-ASZNLBCTSA-N 0 0 599.665 4.603 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408829442 1066243902 /nfs/dbraw/zinc/24/39/02/1066243902.db2.gz MUIVUXRPDHRRSB-YNMQQHPQSA-N 0 0 599.665 4.603 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408829500 1066642219 /nfs/dbraw/zinc/64/22/19/1066642219.db2.gz OCDFYBDZUBZULI-CRCYZHLCSA-N 0 0 600.609 4.715 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408829505 1066642145 /nfs/dbraw/zinc/64/21/45/1066642145.db2.gz FWSJENDIAWGHQT-JAORQVBISA-N 0 0 606.882 4.521 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408829510 1066642281 /nfs/dbraw/zinc/64/22/81/1066642281.db2.gz OCDFYBDZUBZULI-FQKMCRJQSA-N 0 0 600.609 4.715 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408829543 1066642116 /nfs/dbraw/zinc/64/21/16/1066642116.db2.gz FWSJENDIAWGHQT-JCAJYURWSA-N 0 0 606.882 4.521 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408830252 1066632993 /nfs/dbraw/zinc/63/29/93/1066632993.db2.gz PAKZYAKVORCQLS-JLHDDXNDSA-N 0 0 613.692 4.993 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408830254 1066632901 /nfs/dbraw/zinc/63/29/01/1066632901.db2.gz PAKZYAKVORCQLS-PYCBVSLESA-N 0 0 613.692 4.993 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408831019 1066244294 /nfs/dbraw/zinc/24/42/94/1066244294.db2.gz USJBSKBVJWIJOX-CBYYHRJHSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408831023 1066640329 /nfs/dbraw/zinc/64/03/29/1066640329.db2.gz USJBSKBVJWIJOX-PNZYDNNZSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408831837 1066638971 /nfs/dbraw/zinc/63/89/71/1066638971.db2.gz HLNFTLHVACCGBL-BIWBSIMWSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408831841 1066639074 /nfs/dbraw/zinc/63/90/74/1066639074.db2.gz HLNFTLHVACCGBL-ZGOFBEGVSA-N 0 0 573.627 4.754 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408832242 1066244887 /nfs/dbraw/zinc/24/48/87/1066244887.db2.gz QBDICUBGNGRTCB-IYVASWNSSA-N 0 0 605.600 4.615 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408832247 1066638994 /nfs/dbraw/zinc/63/89/94/1066638994.db2.gz QBDICUBGNGRTCB-ORVZPOCUSA-N 0 0 605.600 4.615 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408832268 1066639030 /nfs/dbraw/zinc/63/90/30/1066639030.db2.gz SKRCHLIBEBRPLB-IGSWSUAKSA-N 0 0 567.620 4.947 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408832273 1066639086 /nfs/dbraw/zinc/63/90/86/1066639086.db2.gz SKRCHLIBEBRPLB-YMSBRDKKSA-N 0 0 567.620 4.947 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408832472 1066638447 /nfs/dbraw/zinc/63/84/47/1066638447.db2.gz UBSLEYYDFSTLJX-BIWBSIMWSA-N 0 0 591.617 4.894 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408832477 1066638353 /nfs/dbraw/zinc/63/83/53/1066638353.db2.gz UBSLEYYDFSTLJX-ZGOFBEGVSA-N 0 0 591.617 4.894 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408832623 1066632363 /nfs/dbraw/zinc/63/23/63/1066632363.db2.gz RTZJJTIFTTVUNS-PLQXQRLBSA-N 0 0 642.459 4.877 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408832625 1066632425 /nfs/dbraw/zinc/63/24/25/1066632425.db2.gz RTZJJTIFTTVUNS-VVNKCDPRSA-N 0 0 642.459 4.877 40 5 KJBBRN 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ZINC000408835077 1066631634 /nfs/dbraw/zinc/63/16/34/1066631634.db2.gz VZXXKTWTWJFCRV-LCQSEVKBSA-N 0 0 630.635 4.806 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408835079 1066631591 /nfs/dbraw/zinc/63/15/91/1066631591.db2.gz VZXXKTWTWJFCRV-UQDCTOEPSA-N 0 0 630.635 4.806 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408835408 1066630912 /nfs/dbraw/zinc/63/09/12/1066630912.db2.gz YRUHYOMHMQJLPL-BIWBSIMWSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408835411 1066630962 /nfs/dbraw/zinc/63/09/62/1066630962.db2.gz YRUHYOMHMQJLPL-ZGOFBEGVSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408836953 1066245460 /nfs/dbraw/zinc/24/54/60/1066245460.db2.gz XFNAHLCORZIGSF-RGFRMHDHSA-N 0 0 569.639 4.594 40 5 KJBBRN 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1066652311 /nfs/dbraw/zinc/65/23/11/1066652311.db2.gz DJWGYUYYOHLOTR-FUFNRSNVSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408855222 1066253358 /nfs/dbraw/zinc/25/33/58/1066253358.db2.gz DJWGYUYYOHLOTR-PRLWALMFSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408855598 1066651916 /nfs/dbraw/zinc/65/19/16/1066651916.db2.gz DVXYTTQQDXCOES-OIUASMPBSA-N 0 0 686.768 4.685 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408855601 1066253315 /nfs/dbraw/zinc/25/33/15/1066253315.db2.gz DVXYTTQQDXCOES-QQMBNGEASA-N 0 0 686.768 4.685 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408859994 1066662268 /nfs/dbraw/zinc/66/22/68/1066662268.db2.gz WWEVVHFYTVJXRH-PKYOQBLNSA-N 0 0 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/nfs/dbraw/zinc/66/90/34/1066669034.db2.gz CJGQNPVIVSOZMW-APSNUPSMSA-N 0 0 515.853 4.951 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408872338 1066667252 /nfs/dbraw/zinc/66/72/52/1066667252.db2.gz DIOMBPAEWBWJQD-QRVIBDJDSA-N 0 0 537.525 4.997 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408875364 1066665981 /nfs/dbraw/zinc/66/59/81/1066665981.db2.gz DWLGFBLYQXOITJ-FUFNRSNVSA-N 0 0 621.643 4.903 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000408875365 1066666012 /nfs/dbraw/zinc/66/60/12/1066666012.db2.gz DWLGFBLYQXOITJ-PRLWALMFSA-N 0 0 621.643 4.903 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1 ZINC000408877884 1066675675 /nfs/dbraw/zinc/67/56/75/1066675675.db2.gz VEBNPMIXHQPAQN-XKZIYDEJSA-N 0 0 507.499 4.988 40 5 KJBBRN CCOc1cc(/C=C2/SC(=N)NC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408882730 1066672888 /nfs/dbraw/zinc/67/28/88/1066672888.db2.gz RZZGQMXVCSCOPP-CHHVJCJISA-N 0 0 509.294 4.595 40 5 KJBBRN O=c1/c(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)sc2nc3ccccc3n12 ZINC000408889681 1066258924 /nfs/dbraw/zinc/25/89/24/1066258924.db2.gz IXQAIFDZXYXAED-JMIUGGIZSA-N 0 0 539.323 4.828 40 5 KJBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902021 1066262007 /nfs/dbraw/zinc/26/20/07/1066262007.db2.gz DRPYXBINDHRTQP-XKZIYDEJSA-N 0 0 507.955 4.996 40 5 KJBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408902077 1066261420 /nfs/dbraw/zinc/26/14/20/1066261420.db2.gz FGYNWQXLAUETHN-XKZIYDEJSA-N 0 0 599.406 4.947 40 5 KJBBRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408902085 1066261108 /nfs/dbraw/zinc/26/11/08/1066261108.db2.gz FMMGUAXYSRANRQ-XKZIYDEJSA-N 0 0 599.406 4.947 40 5 KJBBRN O=c1/c(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)sc2nc3ccccc3n12 ZINC000408902251 1066686002 /nfs/dbraw/zinc/68/60/02/1066686002.db2.gz GKABZJFNJIHDSU-MTJSOVHGSA-N 0 0 555.353 4.549 40 5 KJBBRN O=c1/c(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)sc2nc3ccccc3n12 ZINC000408902321 1066264376 /nfs/dbraw/zinc/26/43/76/1066264376.db2.gz HJNLTPACKXUZSE-MTJSOVHGSA-N 0 0 508.353 4.707 40 5 KJBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408902785 1066685464 /nfs/dbraw/zinc/68/54/64/1066685464.db2.gz LGFWTHGMFMXWHW-MTJSOVHGSA-N 0 0 585.379 4.557 40 5 KJBBRN O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2nc3ccccc3n12 ZINC000408903086 1066265156 /nfs/dbraw/zinc/26/51/56/1066265156.db2.gz OZERSFWNARMZNC-MTJSOVHGSA-N 0 0 555.353 4.549 40 5 KJBBRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408903331 1066684106 /nfs/dbraw/zinc/68/41/06/1066684106.db2.gz QWDGDSZYWANULK-MTJSOVHGSA-N 0 0 585.379 4.557 40 5 KJBBRN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408903769 1066265139 /nfs/dbraw/zinc/26/51/39/1066265139.db2.gz YPRVMCSRZNUDQA-KEBDBYFISA-N 0 0 616.349 4.679 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408905524 1066683615 /nfs/dbraw/zinc/68/36/15/1066683615.db2.gz BKCLADPIKRVPSR-NNAGEYCMSA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408905525 1066263362 /nfs/dbraw/zinc/26/33/62/1066263362.db2.gz BKCLADPIKRVPSR-PQRKSKNISA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408906396 1066682859 /nfs/dbraw/zinc/68/28/59/1066682859.db2.gz JBXUEQKKJYNXKV-NNAGEYCMSA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408906399 1066263643 /nfs/dbraw/zinc/26/36/43/1066263643.db2.gz JBXUEQKKJYNXKV-PQRKSKNISA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408907403 1066693381 /nfs/dbraw/zinc/69/33/81/1066693381.db2.gz NEUJMIZTKSEHLO-JLHDDXNDSA-N 0 0 659.717 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408907404 1066693338 /nfs/dbraw/zinc/69/33/38/1066693338.db2.gz NEUJMIZTKSEHLO-PYCBVSLESA-N 0 0 659.717 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408910130 1066692139 /nfs/dbraw/zinc/69/21/39/1066692139.db2.gz WKNHAZAXFIFADZ-ITNPZBTBSA-N 0 0 659.717 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408910134 1066266390 /nfs/dbraw/zinc/26/63/90/1066266390.db2.gz WKNHAZAXFIFADZ-UAMLYEQYSA-N 0 0 659.717 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408913775 1066696794 /nfs/dbraw/zinc/69/67/94/1066696794.db2.gz UECCJZJSGDXNAJ-QPJBPQEWSA-N 0 0 603.653 4.682 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408913780 1066696669 /nfs/dbraw/zinc/69/66/69/1066696669.db2.gz UECCJZJSGDXNAJ-QTTRZTASSA-N 0 0 603.653 4.682 40 5 KJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000408916477 1066694749 /nfs/dbraw/zinc/69/47/49/1066694749.db2.gz CYIDMHLBXOMEIC-KEBDBYFISA-N 0 0 565.398 4.934 40 5 KJBBRN CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1I ZINC000408916516 1066694868 /nfs/dbraw/zinc/69/48/68/1066694868.db2.gz DSOUYQMYLVVYOH-LICLKQGHSA-N 0 0 510.309 4.835 40 5 KJBBRN CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408916963 1066694150 /nfs/dbraw/zinc/69/41/50/1066694150.db2.gz JPFJQNAGGAFUKD-YVLHZVERSA-N 0 0 540.335 4.843 40 5 KJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000408917001 1066693428 /nfs/dbraw/zinc/69/34/28/1066693428.db2.gz KMSSDCWVBFPZLM-VCHYOVAHSA-N 0 0 521.345 4.536 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408917028 1066693448 /nfs/dbraw/zinc/69/34/48/1066693448.db2.gz LAUNNKFDFJTLOC-YDZHTSKRSA-N 0 0 537.525 4.997 40 5 KJBBRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1I ZINC000408917310 1066707507 /nfs/dbraw/zinc/70/75/07/1066707507.db2.gz QVGBOAYWCSSXHR-RQZCQDPDSA-N 0 0 694.241 4.982 40 5 KJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000408917455 1066267259 /nfs/dbraw/zinc/26/72/59/1066267259.db2.gz UVEVAQNPAPMCIH-VCHYOVAHSA-N 0 0 521.345 4.536 40 5 KJBBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408917460 1066707330 /nfs/dbraw/zinc/70/73/30/1066707330.db2.gz UXYFHVODCJJLMX-LZYBPNLTSA-N 0 0 586.214 4.908 40 5 KJBBRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408917657 1066267392 /nfs/dbraw/zinc/26/73/92/1066267392.db2.gz ZJXKHXBFWNXYBH-VCHYOVAHSA-N 0 0 521.345 4.536 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917755 1066706697 /nfs/dbraw/zinc/70/66/97/1066706697.db2.gz AVMVGUVAEZPTPM-LQDNNDEMSA-N 0 0 505.324 4.507 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917756 1066707275 /nfs/dbraw/zinc/70/72/75/1066707275.db2.gz AVMVGUVAEZPTPM-NFJKTXFASA-N 0 0 505.324 4.507 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408917757 1066707498 /nfs/dbraw/zinc/70/74/98/1066707498.db2.gz AVMVGUVAEZPTPM-YCIYHOANSA-N 0 0 505.324 4.507 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 ZINC000408917758 1066267149 /nfs/dbraw/zinc/26/71/49/1066267149.db2.gz AVMVGUVAEZPTPM-ZKKFKWFVSA-N 0 0 505.324 4.507 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408918032 1066270383 /nfs/dbraw/zinc/27/03/83/1066270383.db2.gz FJLZSEUCYZWZCA-IGSWSUAKSA-N 0 0 533.993 4.513 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408918033 1066706641 /nfs/dbraw/zinc/70/66/41/1066706641.db2.gz FJLZSEUCYZWZCA-YMSBRDKKSA-N 0 0 533.993 4.513 40 5 KJBBRN COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1I ZINC000408918395 1066706580 /nfs/dbraw/zinc/70/65/80/1066706580.db2.gz JYUFTXFAMIWOPG-LZYBPNLTSA-N 0 0 680.214 4.592 40 5 KJBBRN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918460 1066270105 /nfs/dbraw/zinc/27/01/05/1066270105.db2.gz KTIRJQOGEYQCRB-LQDNNDEMSA-N 0 0 505.324 4.507 40 5 KJBBRN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918461 1066706177 /nfs/dbraw/zinc/70/61/77/1066706177.db2.gz KTIRJQOGEYQCRB-NFJKTXFASA-N 0 0 505.324 4.507 40 5 KJBBRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918462 1066706098 /nfs/dbraw/zinc/70/60/98/1066706098.db2.gz KTIRJQOGEYQCRB-YCIYHOANSA-N 0 0 505.324 4.507 40 5 KJBBRN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408918463 1066706051 /nfs/dbraw/zinc/70/60/51/1066706051.db2.gz KTIRJQOGEYQCRB-ZKKFKWFVSA-N 0 0 505.324 4.507 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919225 1066706259 /nfs/dbraw/zinc/70/62/59/1066706259.db2.gz VASMTHWCERVKOL-LQDNNDEMSA-N 0 0 505.324 4.507 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919226 1066706136 /nfs/dbraw/zinc/70/61/36/1066706136.db2.gz VASMTHWCERVKOL-NFJKTXFASA-N 0 0 505.324 4.507 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000408919227 1066706021 /nfs/dbraw/zinc/70/60/21/1066706021.db2.gz VASMTHWCERVKOL-YCIYHOANSA-N 0 0 505.324 4.507 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 ZINC000408919228 1066706149 /nfs/dbraw/zinc/70/61/49/1066706149.db2.gz VASMTHWCERVKOL-ZKKFKWFVSA-N 0 0 505.324 4.507 40 5 KJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408921109 1066703323 /nfs/dbraw/zinc/70/33/23/1066703323.db2.gz DKBSLPLJIBCAAO-UHFFFAOYSA-N 0 0 511.299 4.863 40 5 KJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000408921495 1066703365 /nfs/dbraw/zinc/70/33/65/1066703365.db2.gz AFLJMSRHQNAKGC-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408922236 1066702928 /nfs/dbraw/zinc/70/29/28/1066702928.db2.gz YIHQMBZSFODMTD-UHFFFAOYSA-N 0 0 645.513 4.992 40 5 KJBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408922242 1066702976 /nfs/dbraw/zinc/70/29/76/1066702976.db2.gz OEHODCQSPNASIE-GTWFGUSFSA-N 0 0 574.684 4.608 40 5 KJBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000408922245 1066271876 /nfs/dbraw/zinc/27/18/76/1066271876.db2.gz OEHODCQSPNASIE-SJJVXOANSA-N 0 0 574.684 4.608 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000408922293 1066702341 /nfs/dbraw/zinc/70/23/41/1066702341.db2.gz ZCUVSJLNBZIXIS-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000408922376 1066702912 /nfs/dbraw/zinc/70/29/12/1066702912.db2.gz ZXXCTXOWGSMKRV-UHFFFAOYSA-N 0 0 640.696 4.555 40 5 KJBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408923167 1066701846 /nfs/dbraw/zinc/70/18/46/1066701846.db2.gz FWTNOGWOWPHTQX-LZWSPWQCSA-N 0 0 502.346 4.810 40 5 KJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408923334 1066701671 /nfs/dbraw/zinc/70/16/71/1066701671.db2.gz BSXMGOUTESZTSV-UHFFFAOYSA-N 0 0 601.062 4.883 40 5 KJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000408923892 1066701658 /nfs/dbraw/zinc/70/16/58/1066701658.db2.gz HUNRZSURGDHNGF-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408924175 1066701123 /nfs/dbraw/zinc/70/11/23/1066701123.db2.gz CZVRQPJEYVOLHY-UHFFFAOYSA-N 0 0 661.114 4.900 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408924499 1066700487 /nfs/dbraw/zinc/70/04/87/1066700487.db2.gz ORUHKYNZBLJXKS-UHFFFAOYSA-N 0 0 654.723 4.864 40 5 KJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408924534 1066700608 /nfs/dbraw/zinc/70/06/08/1066700608.db2.gz JRWBYYFFHUUMJU-YIXHJXPBSA-N 0 0 502.346 4.810 40 5 KJBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccn4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000408924794 1066272894 /nfs/dbraw/zinc/27/28/94/1066272894.db2.gz RFECVSDNDURCNM-GTWFGUSFSA-N 0 0 574.684 4.608 40 5 KJBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccn4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000408924795 1066700713 /nfs/dbraw/zinc/70/07/13/1066700713.db2.gz RFECVSDNDURCNM-SJJVXOANSA-N 0 0 574.684 4.608 40 5 KJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408925274 1066270926 /nfs/dbraw/zinc/27/09/26/1066270926.db2.gz LVBHEDNZHGKJFJ-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000408926000 1066699970 /nfs/dbraw/zinc/69/99/70/1066699970.db2.gz WJHMCDZBBCVYEF-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000408926037 1066700125 /nfs/dbraw/zinc/70/01/25/1066700125.db2.gz NBEHHIZFXDXCJR-UHFFFAOYSA-N 0 0 654.723 4.864 40 5 KJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000408927156 1066698821 /nfs/dbraw/zinc/69/88/21/1066698821.db2.gz SVLLZULKJKZNLI-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408927554 1066711026 /nfs/dbraw/zinc/71/10/26/1066711026.db2.gz XHTPTJGHPCWARJ-UHFFFAOYSA-N 0 0 594.671 4.846 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408928017 1066710060 /nfs/dbraw/zinc/71/00/60/1066710060.db2.gz ULHMDFMUTHPKGQ-CBYYHRJHSA-N 0 0 580.018 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408928018 1066273969 /nfs/dbraw/zinc/27/39/69/1066273969.db2.gz ULHMDFMUTHPKGQ-PNZYDNNZSA-N 0 0 580.018 4.629 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408930975 1066707994 /nfs/dbraw/zinc/70/79/94/1066707994.db2.gz FODHLWJBDSSNFX-QRVIBDJDSA-N 0 0 537.525 4.997 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408931113 1066707845 /nfs/dbraw/zinc/70/78/45/1066707845.db2.gz HIIYGBBVLYPCSH-QRVIBDJDSA-N 0 0 537.525 4.997 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC ZINC000408932249 1066716063 /nfs/dbraw/zinc/71/60/63/1066716063.db2.gz BRJTYNQQLHTZJU-MGQZUQOPSA-N 0 0 741.560 4.907 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC ZINC000408932253 1066278347 /nfs/dbraw/zinc/27/83/47/1066278347.db2.gz BRJTYNQQLHTZJU-WQVUUJHJSA-N 0 0 741.560 4.907 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408932931 1066715526 /nfs/dbraw/zinc/71/55/26/1066715526.db2.gz FUGOTAQTKOKXJP-MTJSOVHGSA-N 0 0 520.523 4.774 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1OCC ZINC000408932989 1066200826 /nfs/dbraw/zinc/20/08/26/1066200826.db2.gz GICOKSUWHNFAFG-PPHHINJTSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1OCC ZINC000408932990 1066716031 /nfs/dbraw/zinc/71/60/31/1066716031.db2.gz GICOKSUWHNFAFG-URRXENHHSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933362 1066715071 /nfs/dbraw/zinc/71/50/71/1066715071.db2.gz IVYFDTIRPXWINC-MGQZUQOPSA-N 0 0 680.135 4.965 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933363 1066714944 /nfs/dbraw/zinc/71/49/44/1066714944.db2.gz IVYFDTIRPXWINC-WQVUUJHJSA-N 0 0 680.135 4.965 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC ZINC000408933763 1066715128 /nfs/dbraw/zinc/71/51/28/1066715128.db2.gz KPNKYSZJMGWXLD-PPHHINJTSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC ZINC000408933765 1066276141 /nfs/dbraw/zinc/27/61/41/1066276141.db2.gz KPNKYSZJMGWXLD-URRXENHHSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1OCC ZINC000408934500 1066714411 /nfs/dbraw/zinc/71/44/11/1066714411.db2.gz LTBAPRPZDYZMPO-CBRVFMNDSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1OCC ZINC000408934503 1066714462 /nfs/dbraw/zinc/71/44/62/1066714462.db2.gz LTBAPRPZDYZMPO-NTZQMJGNSA-N 0 0 610.044 4.637 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934782 1066713913 /nfs/dbraw/zinc/71/39/13/1066713913.db2.gz CYTQWRNUMQNOIG-ALUWMOPFSA-N 0 0 636.082 4.566 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934783 1066713991 /nfs/dbraw/zinc/71/39/91/1066713991.db2.gz CYTQWRNUMQNOIG-VIYYDIFJSA-N 0 0 636.082 4.566 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408934799 1066713971 /nfs/dbraw/zinc/71/39/71/1066713971.db2.gz DAGXSXYYRUHRSP-LTXAPKEISA-N 0 0 638.702 4.727 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC ZINC000408934802 1066713980 /nfs/dbraw/zinc/71/39/80/1066713980.db2.gz DAGXSXYYRUHRSP-SDUOYYPQSA-N 0 0 638.702 4.727 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408934805 1066713956 /nfs/dbraw/zinc/71/39/56/1066713956.db2.gz DALVHAXZEZSMHC-MGQZUQOPSA-N 0 0 771.586 4.916 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408934807 1066713920 /nfs/dbraw/zinc/71/39/20/1066713920.db2.gz DALVHAXZEZSMHC-WQVUUJHJSA-N 0 0 771.586 4.916 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936823 1066277724 /nfs/dbraw/zinc/27/77/24/1066277724.db2.gz IPURTYLLYBDZGA-FUFNRSNVSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936826 1066712191 /nfs/dbraw/zinc/71/21/91/1066712191.db2.gz IPURTYLLYBDZGA-PRLWALMFSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC ZINC000408937264 1066280324 /nfs/dbraw/zinc/28/03/24/1066280324.db2.gz QEYLOOZKHGGPCH-MGQZUQOPSA-N 0 0 741.560 4.907 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC ZINC000408937268 1066280216 /nfs/dbraw/zinc/28/02/16/1066280216.db2.gz QEYLOOZKHGGPCH-WQVUUJHJSA-N 0 0 741.560 4.907 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408937286 1066280188 /nfs/dbraw/zinc/28/01/88/1066280188.db2.gz QGJOBDNPDVXUGU-MGQZUQOPSA-N 0 0 680.135 4.965 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408937289 1066728029 /nfs/dbraw/zinc/72/80/29/1066728029.db2.gz QGJOBDNPDVXUGU-WQVUUJHJSA-N 0 0 680.135 4.965 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408937599 1066727556 /nfs/dbraw/zinc/72/75/56/1066727556.db2.gz KAGVPOPMGLGSNA-FUFNRSNVSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408937601 1066727478 /nfs/dbraw/zinc/72/74/78/1066727478.db2.gz KAGVPOPMGLGSNA-PRLWALMFSA-N 0 0 603.653 4.762 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408937652 1066728189 /nfs/dbraw/zinc/72/81/89/1066728189.db2.gz HDEITBGZFJYXGU-IYVASWNSSA-N 0 0 606.056 4.557 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408938111 1066280641 /nfs/dbraw/zinc/28/06/41/1066280641.db2.gz HDEITBGZFJYXGU-ORVZPOCUSA-N 0 0 606.056 4.557 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408938255 1066727071 /nfs/dbraw/zinc/72/70/71/1066727071.db2.gz HLLUEMUURSDOJO-IYVASWNSSA-N 0 0 606.056 4.557 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408938258 1066280868 /nfs/dbraw/zinc/28/08/68/1066280868.db2.gz HLLUEMUURSDOJO-ORVZPOCUSA-N 0 0 606.056 4.557 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408938414 1066726942 /nfs/dbraw/zinc/72/69/42/1066726942.db2.gz HSYXLSWPZRDFNV-QOYFHJFVSA-N 0 0 659.717 4.701 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408938416 1066727082 /nfs/dbraw/zinc/72/70/82/1066727082.db2.gz HSYXLSWPZRDFNV-ZOFDMNAZSA-N 0 0 659.717 4.701 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408938783 1066726603 /nfs/dbraw/zinc/72/66/03/1066726603.db2.gz SFXBRCLOCFIFLQ-QOYFHJFVSA-N 0 0 659.717 4.701 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408938786 1066726639 /nfs/dbraw/zinc/72/66/39/1066726639.db2.gz SFXBRCLOCFIFLQ-ZOFDMNAZSA-N 0 0 659.717 4.701 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408939857 1066725768 /nfs/dbraw/zinc/72/57/68/1066725768.db2.gz INNVQTKZSHCRGQ-DKOMQPSQSA-N 0 0 600.436 4.892 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408939858 1066279472 /nfs/dbraw/zinc/27/94/72/1066279472.db2.gz INNVQTKZSHCRGQ-IZBTWGKQSA-N 0 0 600.436 4.892 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408939919 1066725255 /nfs/dbraw/zinc/72/52/55/1066725255.db2.gz IXDKBPNILWEGSM-DKOMQPSQSA-N 0 0 600.436 4.892 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408939921 1066725196 /nfs/dbraw/zinc/72/51/96/1066725196.db2.gz IXDKBPNILWEGSM-IZBTWGKQSA-N 0 0 600.436 4.892 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408941159 1066724355 /nfs/dbraw/zinc/72/43/55/1066724355.db2.gz JYDXVUWDERWZIZ-PPHHINJTSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408941161 1066724697 /nfs/dbraw/zinc/72/46/97/1066724697.db2.gz JYDXVUWDERWZIZ-URRXENHHSA-N 0 0 610.044 4.637 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408941670 1066723828 /nfs/dbraw/zinc/72/38/28/1066723828.db2.gz KARZYBNEQJWMKT-PLQXQRLBSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408941673 1066280053 /nfs/dbraw/zinc/28/00/53/1066280053.db2.gz KARZYBNEQJWMKT-VVNKCDPRSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408941834 1066723334 /nfs/dbraw/zinc/72/33/34/1066723334.db2.gz KMLKKELVSZFLDZ-PLQXQRLBSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408941838 1066723245 /nfs/dbraw/zinc/72/32/45/1066723245.db2.gz KMLKKELVSZFLDZ-VVNKCDPRSA-N 0 0 580.018 4.547 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408941922 1066282688 /nfs/dbraw/zinc/28/26/88/1066282688.db2.gz KSQJCYXGRXIPBK-MGQZUQOPSA-N 0 0 771.586 4.916 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC ZINC000408941928 1066723663 /nfs/dbraw/zinc/72/36/63/1066723663.db2.gz KSQJCYXGRXIPBK-WQVUUJHJSA-N 0 0 771.586 4.916 40 5 KJBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408942018 1066723275 /nfs/dbraw/zinc/72/32/75/1066723275.db2.gz DGSJTDQCGNWYSH-LMSRTUJASA-N 0 0 637.512 4.657 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n21 ZINC000408942023 1066723322 /nfs/dbraw/zinc/72/33/22/1066723322.db2.gz DGSJTDQCGNWYSH-RISWYLRJSA-N 0 0 637.512 4.657 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1OCC ZINC000408943155 1066722241 /nfs/dbraw/zinc/72/22/41/1066722241.db2.gz YHZYXWXOFOGJSI-CBRVFMNDSA-N 0 0 610.044 4.637 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1OCC ZINC000408943158 1066722220 /nfs/dbraw/zinc/72/22/20/1066722220.db2.gz YHZYXWXOFOGJSI-NTZQMJGNSA-N 0 0 610.044 4.637 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408944449 1066717136 /nfs/dbraw/zinc/71/71/36/1066717136.db2.gz MMNMTAKBVJRMEG-PLQXQRLBSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408944451 1066717220 /nfs/dbraw/zinc/71/72/20/1066717220.db2.gz MMNMTAKBVJRMEG-VVNKCDPRSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408944540 1066717053 /nfs/dbraw/zinc/71/70/53/1066717053.db2.gz MTZVAENBOGTHHC-NFYDWNOTSA-N 0 0 594.045 4.855 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408944544 1066717146 /nfs/dbraw/zinc/71/71/46/1066717146.db2.gz MTZVAENBOGTHHC-ZFWDJNJRSA-N 0 0 594.045 4.855 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408944588 1066720906 /nfs/dbraw/zinc/72/09/06/1066720906.db2.gz MYFCUZLIJFKZSV-PLQXQRLBSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408944593 1066281442 /nfs/dbraw/zinc/28/14/42/1066281442.db2.gz MYFCUZLIJFKZSV-VVNKCDPRSA-N 0 0 580.018 4.547 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408945282 1066720394 /nfs/dbraw/zinc/72/03/94/1066720394.db2.gz NTZWLFIVZQATEZ-BDRSBEQYSA-N 0 0 650.109 4.956 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408945283 1066281942 /nfs/dbraw/zinc/28/19/42/1066281942.db2.gz NTZWLFIVZQATEZ-OTKSFMAGSA-N 0 0 650.109 4.956 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408945695 1066719761 /nfs/dbraw/zinc/71/97/61/1066719761.db2.gz XVANGPNFOOETIV-IGSWSUAKSA-N 0 0 630.517 4.655 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408945697 1066282000 /nfs/dbraw/zinc/28/20/00/1066282000.db2.gz XVANGPNFOOETIV-YMSBRDKKSA-N 0 0 630.517 4.655 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408945881 1066719192 /nfs/dbraw/zinc/71/91/92/1066719192.db2.gz OFWKUBCEVQKGOW-DQARITGZSA-N 0 0 636.082 4.566 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408945884 1066719248 /nfs/dbraw/zinc/71/92/48/1066719248.db2.gz OFWKUBCEVQKGOW-YRSDHNRQSA-N 0 0 636.082 4.566 40 5 KJBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000408945944 1066201315 /nfs/dbraw/zinc/20/13/15/1066201315.db2.gz HWRQWXDLGSVZKM-LMSRTUJASA-N 0 0 637.512 4.657 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n21 ZINC000408945947 1066718859 /nfs/dbraw/zinc/71/88/59/1066718859.db2.gz HWRQWXDLGSVZKM-RISWYLRJSA-N 0 0 637.512 4.657 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC ZINC000408947562 1066733343 /nfs/dbraw/zinc/73/33/43/1066733343.db2.gz QJXXALYHYSEBJN-CBDLDADJSA-N 0 0 603.653 4.601 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC ZINC000408947563 1066733291 /nfs/dbraw/zinc/73/32/91/1066733291.db2.gz QJXXALYHYSEBJN-QDZBTNNNSA-N 0 0 603.653 4.601 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408948387 1066731923 /nfs/dbraw/zinc/73/19/23/1066731923.db2.gz RJMSFZWUDKITMB-PPHHINJTSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408948389 1066732428 /nfs/dbraw/zinc/73/24/28/1066732428.db2.gz RJMSFZWUDKITMB-URRXENHHSA-N 0 0 654.495 4.746 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408948914 1066731907 /nfs/dbraw/zinc/73/19/07/1066731907.db2.gz RSISTVDVXTUDKW-MSXMGWOJSA-N 0 0 690.687 4.823 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408948917 1066731823 /nfs/dbraw/zinc/73/18/23/1066731823.db2.gz RSISTVDVXTUDKW-VMRSUCRISA-N 0 0 690.687 4.823 40 5 KJBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408949896 1066730966 /nfs/dbraw/zinc/73/09/66/1066730966.db2.gz SOQBQPUEOAFILI-QUNTYYFUSA-N 0 0 650.109 4.956 40 5 KJBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408949897 1066283732 /nfs/dbraw/zinc/28/37/32/1066283732.db2.gz SOQBQPUEOAFILI-SZYVSPPHSA-N 0 0 650.109 4.956 40 5 KJBBRN O=C1S/C(=C\c2cc(Br)c(I)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408950536 1066730449 /nfs/dbraw/zinc/73/04/49/1066730449.db2.gz GEQSBDVNQFBEBY-SDQBBNPISA-N 0 0 535.113 4.791 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408950903 1066730101 /nfs/dbraw/zinc/73/01/01/1066730101.db2.gz UKXALMZHFJSJHG-IYVASWNSSA-N 0 0 606.056 4.557 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408950906 1066730071 /nfs/dbraw/zinc/73/00/71/1066730071.db2.gz UKXALMZHFJSJHG-ORVZPOCUSA-N 0 0 606.056 4.557 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408951736 1066729066 /nfs/dbraw/zinc/72/90/66/1066729066.db2.gz UXTYEIRWEGFGKV-DKOMQPSQSA-N 0 0 600.436 4.892 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408951738 1066288257 /nfs/dbraw/zinc/28/82/57/1066288257.db2.gz UXTYEIRWEGFGKV-IZBTWGKQSA-N 0 0 600.436 4.892 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc(C)c(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408952710 1066728722 /nfs/dbraw/zinc/72/87/22/1066728722.db2.gz VOJIBYNFAVYREE-OYBDOCOOSA-N 0 0 603.653 4.601 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc(C)c(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC ZINC000408952713 1066286565 /nfs/dbraw/zinc/28/65/65/1066286565.db2.gz VOJIBYNFAVYREE-QICARQTCSA-N 0 0 603.653 4.601 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408954479 1066287045 /nfs/dbraw/zinc/28/70/45/1066287045.db2.gz XCDRMIVSDHSPAF-ILLSWNIOSA-N 0 0 739.557 4.973 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC ZINC000408954480 1066736920 /nfs/dbraw/zinc/73/69/20/1066736920.db2.gz XCDRMIVSDHSPAF-UONGPDOGSA-N 0 0 739.557 4.973 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408954524 1066736734 /nfs/dbraw/zinc/73/67/34/1066736734.db2.gz XOXSSFWZKUQXHU-PLQXQRLBSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408954525 1066286991 /nfs/dbraw/zinc/28/69/91/1066286991.db2.gz XOXSSFWZKUQXHU-VVNKCDPRSA-N 0 0 580.018 4.547 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408955445 1066735917 /nfs/dbraw/zinc/73/59/17/1066735917.db2.gz YEIYVDSUDLHHLJ-DKOMQPSQSA-N 0 0 600.436 4.892 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408955450 1066736024 /nfs/dbraw/zinc/73/60/24/1066736024.db2.gz YEIYVDSUDLHHLJ-IZBTWGKQSA-N 0 0 600.436 4.892 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408955619 1066735481 /nfs/dbraw/zinc/73/54/81/1066735481.db2.gz YPNMJCMORUSHLQ-FWWZVOFESA-N 0 0 771.586 4.916 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC ZINC000408955621 1066735495 /nfs/dbraw/zinc/73/54/95/1066735495.db2.gz YPNMJCMORUSHLQ-OAJVPKOVSA-N 0 0 771.586 4.916 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408956773 1066734807 /nfs/dbraw/zinc/73/48/07/1066734807.db2.gz ZPJZSUHGBZSHEQ-BUDNTJSZSA-N 0 0 629.094 4.981 40 5 KJBBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408956776 1066734669 /nfs/dbraw/zinc/73/46/69/1066734669.db2.gz ZPJZSUHGBZSHEQ-FCVOFCDTSA-N 0 0 629.094 4.981 40 5 KJBBRN S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccn2)CC1 ZINC000408973292 1066743565 /nfs/dbraw/zinc/74/35/65/1066743565.db2.gz ALINJSAPXMMCCV-UHFFFAOYSA-N 0 0 502.607 4.793 40 5 KJBBRN O=[N+]([O-])c1cc2nc(NC3C4CC5CC(C4)CC3C5)c(NC3C4CC5CC(C4)CC3C5)nc2cc1[N+](=O)[O-] ZINC000408974224 1066202474 /nfs/dbraw/zinc/20/24/74/1066202474.db2.gz XPDKFQMRWSECJM-UHFFFAOYSA-N 0 0 518.618 4.763 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408974548 1066746357 /nfs/dbraw/zinc/74/63/57/1066746357.db2.gz BJLCFAWUTBDEKO-BIWBSIMWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408974549 1066746454 /nfs/dbraw/zinc/74/64/54/1066746454.db2.gz BJLCFAWUTBDEKO-ZGOFBEGVSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975023 1066746374 /nfs/dbraw/zinc/74/63/74/1066746374.db2.gz HMEVWYQVAHHGJC-HDFSHUSISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975100 1066746502 /nfs/dbraw/zinc/74/65/02/1066746502.db2.gz HMEVWYQVAHHGJC-LAUBZIAYSA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975116 1066746384 /nfs/dbraw/zinc/74/63/84/1066746384.db2.gz HRTYFCNSPVGITP-FUFNRSNVSA-N 0 0 587.654 4.982 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975117 1066746466 /nfs/dbraw/zinc/74/64/66/1066746466.db2.gz HRTYFCNSPVGITP-PRLWALMFSA-N 0 0 587.654 4.982 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975760 1066745969 /nfs/dbraw/zinc/74/59/69/1066745969.db2.gz MUXMPJSMZLDBLM-BIWBSIMWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975761 1066746061 /nfs/dbraw/zinc/74/60/61/1066746061.db2.gz MUXMPJSMZLDBLM-ZGOFBEGVSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975789 1066746012 /nfs/dbraw/zinc/74/60/12/1066746012.db2.gz NPRAQUONTDULBW-HDFSHUSISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975790 1066746024 /nfs/dbraw/zinc/74/60/24/1066746024.db2.gz NPRAQUONTDULBW-LAUBZIAYSA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408975941 1066746056 /nfs/dbraw/zinc/74/60/56/1066746056.db2.gz NVMLITDHYVKTJX-FUFNRSNVSA-N 0 0 630.635 4.806 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408975943 1066745975 /nfs/dbraw/zinc/74/59/75/1066745975.db2.gz NVMLITDHYVKTJX-PRLWALMFSA-N 0 0 630.635 4.806 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408976070 1066746048 /nfs/dbraw/zinc/74/60/48/1066746048.db2.gz PCHDTKMQMAMKCU-BIWBSIMWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408976071 1066745956 /nfs/dbraw/zinc/74/59/56/1066745956.db2.gz PCHDTKMQMAMKCU-ZGOFBEGVSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408976397 1066746040 /nfs/dbraw/zinc/74/60/40/1066746040.db2.gz QZEOIEUCXMVMEJ-HDFSHUSISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408976400 1066745984 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MFQQFDTZAWVEMF-YMSBRDKKSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409000111 1066766849 /nfs/dbraw/zinc/76/68/49/1066766849.db2.gz MOJMYAKWSJRYBW-IGSWSUAKSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409000115 1066766743 /nfs/dbraw/zinc/76/67/43/1066766743.db2.gz MOJMYAKWSJRYBW-YMSBRDKKSA-N 0 0 594.443 4.729 40 5 KJBBRN O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000409000312 1066299013 /nfs/dbraw/zinc/29/90/13/1066299013.db2.gz VHFUUVRLOUIRMT-MHZLTWQESA-N 0 0 567.554 4.789 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409000824 1066766364 /nfs/dbraw/zinc/76/63/64/1066766364.db2.gz NDVLAPZVFQOSGR-LLXISZFLSA-N 0 0 697.747 4.620 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409000827 1066766314 /nfs/dbraw/zinc/76/63/14/1066766314.db2.gz NDVLAPZVFQOSGR-PLNPHXOGSA-N 0 0 697.747 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409000836 1066766309 /nfs/dbraw/zinc/76/63/09/1066766309.db2.gz NGMABVHUOUOWOA-CBYYHRJHSA-N 0 0 624.469 4.738 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409000837 1066766358 /nfs/dbraw/zinc/76/63/58/1066766358.db2.gz NGMABVHUOUOWOA-PNZYDNNZSA-N 0 0 624.469 4.738 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409001872 1066765776 /nfs/dbraw/zinc/76/57/76/1066765776.db2.gz XGQSTCSKESZQAJ-HNVAQCFTSA-N 0 0 711.774 4.929 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409001873 1066765850 /nfs/dbraw/zinc/76/58/50/1066765850.db2.gz XGQSTCSKESZQAJ-JESJEVRBSA-N 0 0 711.774 4.929 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409001882 1066299764 /nfs/dbraw/zinc/29/97/64/1066299764.db2.gz XITCDUGTKLRDMD-JBELXZHTSA-N 0 0 543.601 4.560 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409001883 1066765861 /nfs/dbraw/zinc/76/58/61/1066765861.db2.gz XITCDUGTKLRDMD-JXACUPQYSA-N 0 0 543.601 4.560 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409002970 1066765229 /nfs/dbraw/zinc/76/52/29/1066765229.db2.gz XQJNCZYMYAZHGJ-KOBOZNMDSA-N 0 0 613.692 4.984 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409002972 1066765312 /nfs/dbraw/zinc/76/53/12/1066765312.db2.gz XQJNCZYMYAZHGJ-OGEXXFCLSA-N 0 0 613.692 4.984 40 5 KJBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000409003041 1066764889 /nfs/dbraw/zinc/76/48/89/1066764889.db2.gz QUVJXAQUCLHKKM-NDEPHWFRSA-N 0 0 507.590 4.813 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409003180 1066300837 /nfs/dbraw/zinc/30/08/37/1066300837.db2.gz YLIOMYPJKLHCFG-KYRGTEIWSA-N 0 0 617.705 4.583 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409003185 1066300546 /nfs/dbraw/zinc/30/05/46/1066300546.db2.gz YLIOMYPJKLHCFG-NKYAOSOXSA-N 0 0 617.705 4.583 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409003347 1066764809 /nfs/dbraw/zinc/76/48/09/1066764809.db2.gz ZPOBTRRIBPYMRG-CBYYHRJHSA-N 0 0 624.469 4.738 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409003350 1066764825 /nfs/dbraw/zinc/76/48/25/1066764825.db2.gz ZPOBTRRIBPYMRG-PNZYDNNZSA-N 0 0 624.469 4.738 40 5 KJBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)C(=O)O1 ZINC000409004241 1066764336 /nfs/dbraw/zinc/76/43/36/1066764336.db2.gz OTJKTFOJCLICQP-GRSHGNNSSA-N 0 0 508.870 4.829 40 5 KJBBRN O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409006391 1066300358 /nfs/dbraw/zinc/30/03/58/1066300358.db2.gz NOGWEYLMXRTPCZ-UHFFFAOYSA-N 0 0 512.346 4.870 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409008773 1066774612 /nfs/dbraw/zinc/77/46/12/1066774612.db2.gz GTWVLANXMURKKZ-HAHDFKILSA-N 0 0 552.996 4.893 40 5 KJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409008932 1066302362 /nfs/dbraw/zinc/30/23/62/1066302362.db2.gz AKIJIZOCFXRQIU-MDBUFAAASA-N 0 0 565.398 4.933 40 5 KJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409008933 1066774112 /nfs/dbraw/zinc/77/41/12/1066774112.db2.gz AKIJIZOCFXRQIU-OTGIAGGSSA-N 0 0 565.398 4.933 40 5 KJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409008977 1066302342 /nfs/dbraw/zinc/30/23/42/1066302342.db2.gz AVRXPCMWNJVFDW-MDBUFAAASA-N 0 0 520.947 4.824 40 5 KJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409008979 1066302291 /nfs/dbraw/zinc/30/22/91/1066302291.db2.gz AVRXPCMWNJVFDW-OTGIAGGSSA-N 0 0 520.947 4.824 40 5 KJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409009000 1066774234 /nfs/dbraw/zinc/77/42/34/1066774234.db2.gz BAKLIGJQJVVIJX-MDBUFAAASA-N 0 0 535.372 4.924 40 5 KJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409009002 1066774126 /nfs/dbraw/zinc/77/41/26/1066774126.db2.gz BAKLIGJQJVVIJX-OTGIAGGSSA-N 0 0 535.372 4.924 40 5 KJBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OCC)c3)C(=O)O2)cc1 ZINC000409009083 1066301398 /nfs/dbraw/zinc/30/13/98/1066301398.db2.gz VHDGCVNTCRDWLN-HMAPJEAMSA-N 0 0 502.479 4.956 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)o1 ZINC000409009169 1066774236 /nfs/dbraw/zinc/77/42/36/1066774236.db2.gz BUQVDOCGMGRVTK-LFVJCYFKSA-N 0 0 532.578 4.548 40 5 KJBBRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000409009784 1066301163 /nfs/dbraw/zinc/30/11/63/1066301163.db2.gz BXPSYYJAAGMDTM-UHFFFAOYSA-N 0 0 508.383 4.774 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409009931 1066773767 /nfs/dbraw/zinc/77/37/67/1066773767.db2.gz ITZVHZAJDDIWCJ-TURZUDJPSA-N 0 0 602.669 4.958 40 5 KJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409010260 1066773821 /nfs/dbraw/zinc/77/38/21/1066773821.db2.gz BIKBMHDEVTUFBW-MDBUFAAASA-N 0 0 582.372 4.766 40 5 KJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409010261 1066301696 /nfs/dbraw/zinc/30/16/96/1066301696.db2.gz BIKBMHDEVTUFBW-OTGIAGGSSA-N 0 0 582.372 4.766 40 5 KJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409011211 1066301602 /nfs/dbraw/zinc/30/16/02/1066301602.db2.gz MVMZXFRJVPECKI-MDBUFAAASA-N 0 0 612.398 4.775 40 5 KJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409011213 1066301778 /nfs/dbraw/zinc/30/17/78/1066301778.db2.gz MVMZXFRJVPECKI-OTGIAGGSSA-N 0 0 612.398 4.775 40 5 KJBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000409011219 1066773331 /nfs/dbraw/zinc/77/33/31/1066773331.db2.gz FISSVASVASXLJA-NNAGEYCMSA-N 0 0 647.706 4.699 40 5 KJBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000409011221 1066773328 /nfs/dbraw/zinc/77/33/28/1066773328.db2.gz FISSVASVASXLJA-PQRKSKNISA-N 0 0 647.706 4.699 40 5 KJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409011693 1066772883 /nfs/dbraw/zinc/77/28/83/1066772883.db2.gz OETRGLKIOQKUMH-MDBUFAAASA-N 0 0 535.372 4.924 40 5 KJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409011694 1066772891 /nfs/dbraw/zinc/77/28/91/1066772891.db2.gz OETRGLKIOQKUMH-OTGIAGGSSA-N 0 0 535.372 4.924 40 5 KJBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409011954 1066772457 /nfs/dbraw/zinc/77/24/57/1066772457.db2.gz GVPDNNXBYMMYLC-NNAGEYCMSA-N 0 0 647.706 4.699 40 5 KJBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409011958 1066772395 /nfs/dbraw/zinc/77/23/95/1066772395.db2.gz GVPDNNXBYMMYLC-PQRKSKNISA-N 0 0 647.706 4.699 40 5 KJBBRN O=C1NC(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 ZINC000409012706 1066771952 /nfs/dbraw/zinc/77/19/52/1066771952.db2.gz RIZBRMNTQKUTHB-DEDYPNTBSA-N 0 0 541.301 4.876 40 5 KJBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 ZINC000409012874 1066771947 /nfs/dbraw/zinc/77/19/47/1066771947.db2.gz JCCFIRPHVOQVIY-NNAGEYCMSA-N 0 0 647.706 4.699 40 5 KJBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 ZINC000409012875 1066771921 /nfs/dbraw/zinc/77/19/21/1066771921.db2.gz JCCFIRPHVOQVIY-PQRKSKNISA-N 0 0 647.706 4.699 40 5 KJBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 ZINC000409013377 1066771445 /nfs/dbraw/zinc/77/14/45/1066771445.db2.gz KAQVUSMLXDIIPZ-NNAGEYCMSA-N 0 0 617.680 4.690 40 5 KJBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 ZINC000409013381 1066771494 /nfs/dbraw/zinc/77/14/94/1066771494.db2.gz KAQVUSMLXDIIPZ-PQRKSKNISA-N 0 0 617.680 4.690 40 5 KJBBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n21 ZINC000409013561 1066771385 /nfs/dbraw/zinc/77/13/85/1066771385.db2.gz KUJNJPTUYMHHNF-GSTVVXAASA-N 0 0 703.770 4.718 40 5 KJBBRN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n21 ZINC000409013566 1066771362 /nfs/dbraw/zinc/77/13/62/1066771362.db2.gz KUJNJPTUYMHHNF-SAGCDJCOSA-N 0 0 703.770 4.718 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409013764 1066301630 /nfs/dbraw/zinc/30/16/30/1066301630.db2.gz VGIQEMPOIRLGEG-OVVQPSECSA-N 0 0 588.642 4.568 40 5 KJBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409014035 1066771060 /nfs/dbraw/zinc/77/10/60/1066771060.db2.gz LTQWESJBVMTNOM-DXUGRCAZSA-N 0 0 673.744 4.708 40 5 KJBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409014039 1066771470 /nfs/dbraw/zinc/77/14/70/1066771470.db2.gz LTQWESJBVMTNOM-KOHOJCOXSA-N 0 0 673.744 4.708 40 5 KJBBRN CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409014098 1066770927 /nfs/dbraw/zinc/77/09/27/1066770927.db2.gz MBRJAAKIBSDZTQ-NNAGEYCMSA-N 0 0 617.680 4.690 40 5 KJBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409014101 1066770885 /nfs/dbraw/zinc/77/08/85/1066770885.db2.gz MBRJAAKIBSDZTQ-PQRKSKNISA-N 0 0 617.680 4.690 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409015263 1066770562 /nfs/dbraw/zinc/77/05/62/1066770562.db2.gz ZFPMOVGWVMDDTP-PCLIKHOPSA-N 0 0 589.586 4.680 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409015313 1066303112 /nfs/dbraw/zinc/30/31/12/1066303112.db2.gz ZMGWPIOHXCSYGV-MTDXEUNCSA-N 0 0 581.654 4.983 40 5 KJBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)o1 ZINC000409015587 1066769994 /nfs/dbraw/zinc/76/99/94/1066769994.db2.gz ROTLIPDMAILXOQ-JLPGSUDCSA-N 0 0 532.578 4.548 40 5 KJBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409015683 1066770017 /nfs/dbraw/zinc/77/00/17/1066770017.db2.gz RUFCBPMSEUPZFU-MDBUFAAASA-N 0 0 565.398 4.933 40 5 KJBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409015687 1066303380 /nfs/dbraw/zinc/30/33/80/1066303380.db2.gz RUFCBPMSEUPZFU-OTGIAGGSSA-N 0 0 565.398 4.933 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409016122 1066769386 /nfs/dbraw/zinc/76/93/86/1066769386.db2.gz 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COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409018203 1066302643 /nfs/dbraw/zinc/30/26/43/1066302643.db2.gz SXERWWPPJXZBGP-NULZLWRNSA-N 0 0 617.680 4.689 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409018361 1066783602 /nfs/dbraw/zinc/78/36/02/1066783602.db2.gz UQEUUWQKIGMKNU-WSDLNYQXSA-N 0 0 550.955 4.676 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409018545 1066302829 /nfs/dbraw/zinc/30/28/29/1066302829.db2.gz WOOADRSEZHIFDD-LPYMAVHISA-N 0 0 612.380 4.618 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409018747 1066783124 /nfs/dbraw/zinc/78/31/24/1066783124.db2.gz UBUYRNSQJNGJFC-LPYMAVHISA-N 0 0 565.380 4.776 40 5 KJBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n21 ZINC000409019038 1066783078 /nfs/dbraw/zinc/78/30/78/1066783078.db2.gz 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CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000409019698 1066304834 /nfs/dbraw/zinc/30/48/34/1066304834.db2.gz WSEGCRKXLYZAAI-PQRKSKNISA-N 0 0 617.680 4.690 40 5 KJBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409019835 1066782353 /nfs/dbraw/zinc/78/23/53/1066782353.db2.gz XSXYZZPNEMZCHE-HRIDGTDGSA-N 0 0 617.680 4.689 40 5 KJBBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409019836 1066782306 /nfs/dbraw/zinc/78/23/06/1066782306.db2.gz XSXYZZPNEMZCHE-NULZLWRNSA-N 0 0 617.680 4.689 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409020315 1066305338 /nfs/dbraw/zinc/30/53/38/1066305338.db2.gz NVRRGDBRCOJKKF-UDWIEESQSA-N 0 0 571.327 4.884 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409020395 1066781936 /nfs/dbraw/zinc/78/19/36/1066781936.db2.gz OVIZBZDACIYAEV-NLRVBDNBSA-N 0 0 558.616 4.559 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409020572 1066781758 /nfs/dbraw/zinc/78/17/58/1066781758.db2.gz QQRGHJGVCIOFGM-WGOQTCKBSA-N 0 0 619.612 4.689 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409022441 1066779744 /nfs/dbraw/zinc/77/97/44/1066779744.db2.gz NZJGUSQYTJQBEA-SSDVNMTOSA-N 0 0 595.406 4.785 40 5 KJBBRN COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409023728 1066778377 /nfs/dbraw/zinc/77/83/77/1066778377.db2.gz DNQVZCSIOYGCAF-UHFFFAOYSA-N 0 0 582.075 4.949 40 5 KJBBRN COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409024571 1066777895 /nfs/dbraw/zinc/77/78/95/1066777895.db2.gz DXQOWCCZGACRTC-UHFFFAOYSA-N 0 0 598.074 4.649 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409024951 1066777497 /nfs/dbraw/zinc/77/74/97/1066777497.db2.gz ZYNNQCQWHVKNBG-LPYMAVHISA-N 0 0 565.380 4.776 40 5 KJBBRN CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000409025334 1066776893 /nfs/dbraw/zinc/77/68/93/1066776893.db2.gz TZCHXKQHHAFXRS-UHFFFAOYSA-N 0 0 501.586 4.549 40 5 KJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1c(F)cccc1Cl ZINC000409026060 1066776454 /nfs/dbraw/zinc/77/64/54/1066776454.db2.gz FBGYGJFCRABQPD-UHFFFAOYSA-N 0 0 538.022 4.632 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409026820 1066775627 /nfs/dbraw/zinc/77/56/27/1066775627.db2.gz ZAMONJDOESTTAU-UHFFFAOYSA-N 0 0 507.927 4.538 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409027279 1066775459 /nfs/dbraw/zinc/77/54/59/1066775459.db2.gz FKZNHHJGWHANLL-UHFFFAOYSA-N 0 0 596.662 4.509 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409027666 1066797292 /nfs/dbraw/zinc/79/72/92/1066797292.db2.gz DHXYLNGQPHOAKK-UHFFFAOYSA-N 0 0 588.642 4.676 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409028298 1066796901 /nfs/dbraw/zinc/79/69/01/1066796901.db2.gz LJRFETWVBNEIJR-UHFFFAOYSA-N 0 0 580.663 4.808 40 5 KJBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1c(F)cccc1Cl ZINC000409028971 1066305444 /nfs/dbraw/zinc/30/54/44/1066305444.db2.gz VURLXMIJVJJBOV-UHFFFAOYSA-N 0 0 538.022 4.632 40 5 KJBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1Br ZINC000409029190 1066796403 /nfs/dbraw/zinc/79/64/03/1066796403.db2.gz ZFSRMNQDMQZUMI-UHFFFAOYSA-N 0 0 534.388 4.508 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000409029577 1066795942 /nfs/dbraw/zinc/79/59/42/1066795942.db2.gz AVXCKJJWLYQQOI-IGSWSUAKSA-N 0 0 549.992 4.620 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)sc2=N1 ZINC000409029579 1066795935 /nfs/dbraw/zinc/79/59/35/1066795935.db2.gz AVXCKJJWLYQQOI-YMSBRDKKSA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029915 1066795597 /nfs/dbraw/zinc/79/55/97/1066795597.db2.gz DBIUJTVHFVAGQH-DVUZPASPSA-N 0 0 726.558 4.680 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029916 1066306779 /nfs/dbraw/zinc/30/67/79/1066306779.db2.gz DBIUJTVHFVAGQH-UNRSNATKSA-N 0 0 726.558 4.680 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030005 1066795538 /nfs/dbraw/zinc/79/55/38/1066795538.db2.gz BLUIDSQACNFPAV-HOGDLBODSA-N 0 0 675.716 4.534 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030006 1066795492 /nfs/dbraw/zinc/79/54/92/1066795492.db2.gz BLUIDSQACNFPAV-ZWTGMXIPSA-N 0 0 675.716 4.534 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409030265 1066306883 /nfs/dbraw/zinc/30/68/83/1066306883.db2.gz CSIMRYCJAUWGSV-HRIDGTDGSA-N 0 0 578.650 4.710 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)sc2=N1 ZINC000409030267 1066306753 /nfs/dbraw/zinc/30/67/53/1066306753.db2.gz CSIMRYCJAUWGSV-NULZLWRNSA-N 0 0 578.650 4.710 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030549 1066794708 /nfs/dbraw/zinc/79/47/08/1066794708.db2.gz DWCFBBURADINQF-DLJDGCESSA-N 0 0 682.107 4.570 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409030551 1066306865 /nfs/dbraw/zinc/30/68/65/1066306865.db2.gz DWCFBBURADINQF-ZKEKZPBLSA-N 0 0 682.107 4.570 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(O[C@@H](C)CC)c([N+](=O)[O-])c3)sc2=N1 ZINC000409030915 1066793834 /nfs/dbraw/zinc/79/38/34/1066793834.db2.gz FRHLYYUVPFMXDP-CSGYWZOWSA-N 0 0 600.491 4.646 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(O[C@H](C)CC)c([N+](=O)[O-])c3)sc2=N1 ZINC000409030917 1066794358 /nfs/dbraw/zinc/79/43/58/1066794358.db2.gz FRHLYYUVPFMXDP-GGSDACBOSA-N 0 0 600.491 4.646 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(O[C@@H](C)CC)c([N+](=O)[O-])c3)sc2=N1 ZINC000409030919 1066306721 /nfs/dbraw/zinc/30/67/21/1066306721.db2.gz FRHLYYUVPFMXDP-SAFOYCTISA-N 0 0 600.491 4.646 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(O[C@H](C)CC)c([N+](=O)[O-])c3)sc2=N1 ZINC000409030921 1066794322 /nfs/dbraw/zinc/79/43/22/1066794322.db2.gz FRHLYYUVPFMXDP-ZHBMOFKDSA-N 0 0 600.491 4.646 40 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CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)sc2=N1 ZINC000409031426 1066793453 /nfs/dbraw/zinc/79/34/53/1066793453.db2.gz APKHIAZFUKQMEG-BIWBSIMWSA-N 0 0 681.508 4.890 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)sc2=N1 ZINC000409031429 1066793982 /nfs/dbraw/zinc/79/39/82/1066793982.db2.gz APKHIAZFUKQMEG-ZGOFBEGVSA-N 0 0 681.508 4.890 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409032052 1066792552 /nfs/dbraw/zinc/79/25/52/1066792552.db2.gz IPFDYBRMBCNZKQ-IGSWSUAKSA-N 0 0 549.992 4.620 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)sc2=N1 ZINC000409032054 1066792648 /nfs/dbraw/zinc/79/26/48/1066792648.db2.gz IPFDYBRMBCNZKQ-YMSBRDKKSA-N 0 0 549.992 4.620 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032057 1066792691 /nfs/dbraw/zinc/79/26/91/1066792691.db2.gz IARJFSCAIMEMCV-GORIGYSASA-N 0 0 766.623 4.999 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032059 1066792613 /nfs/dbraw/zinc/79/26/13/1066792613.db2.gz IARJFSCAIMEMCV-VKSQQWFDSA-N 0 0 766.623 4.999 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032110 1066792542 /nfs/dbraw/zinc/79/25/42/1066792542.db2.gz IICBZVVXSQTDSY-CUJVHFRDSA-N 0 0 724.792 4.968 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032112 1066792666 /nfs/dbraw/zinc/79/26/66/1066792666.db2.gz IICBZVVXSQTDSY-ZGGSADGGSA-N 0 0 724.792 4.968 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409032151 1066307218 /nfs/dbraw/zinc/30/72/18/1066307218.db2.gz IOKCBADZBOWUTA-QPJBPQEWSA-N 0 0 590.057 4.939 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409032152 1066792514 /nfs/dbraw/zinc/79/25/14/1066792514.db2.gz IOKCBADZBOWUTA-QTTRZTASSA-N 0 0 590.057 4.939 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409032339 1066791788 /nfs/dbraw/zinc/79/17/88/1066791788.db2.gz CUEVVLMUQDMTMA-QPJBPQEWSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 ZINC000409032342 1066791694 /nfs/dbraw/zinc/79/16/94/1066791694.db2.gz CUEVVLMUQDMTMA-QTTRZTASSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032382 1066792137 /nfs/dbraw/zinc/79/21/37/1066792137.db2.gz IUYZMYORUFNJBU-DVUZPASPSA-N 0 0 682.107 4.570 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032385 1066792113 /nfs/dbraw/zinc/79/21/13/1066792113.db2.gz IUYZMYORUFNJBU-UNRSNATKSA-N 0 0 682.107 4.570 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032840 1066307696 /nfs/dbraw/zinc/30/76/96/1066307696.db2.gz DPEFUBHOTIUWLJ-DVUZPASPSA-N 0 0 726.558 4.680 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032842 1066308033 /nfs/dbraw/zinc/30/80/33/1066308033.db2.gz DPEFUBHOTIUWLJ-UNRSNATKSA-N 0 0 726.558 4.680 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033061 1066790977 /nfs/dbraw/zinc/79/09/77/1066790977.db2.gz DJFXMARQQFQLEV-HOGDLBODSA-N 0 0 766.623 4.999 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033064 1066790901 /nfs/dbraw/zinc/79/09/01/1066790901.db2.gz DJFXMARQQFQLEV-ZWTGMXIPSA-N 0 0 766.623 4.999 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409033112 1066791352 /nfs/dbraw/zinc/79/13/52/1066791352.db2.gz LBEMZGZZEYHVKC-MGSPXPDISA-N 0 0 594.443 4.729 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409033114 1066791262 /nfs/dbraw/zinc/79/12/62/1066791262.db2.gz LBEMZGZZEYHVKC-XPCGLTFESA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033148 1066790888 /nfs/dbraw/zinc/79/08/88/1066790888.db2.gz DZCZGKFXDFPJPA-BQCQJZCVSA-N 0 0 752.198 4.898 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033149 1066308234 /nfs/dbraw/zinc/30/82/34/1066308234.db2.gz DZCZGKFXDFPJPA-GAPLDZIPSA-N 0 0 752.198 4.898 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)sc2=N1 ZINC000409033370 1066308414 /nfs/dbraw/zinc/30/84/14/1066308414.db2.gz LCVLOQKBAQLQFK-BIWBSIMWSA-N 0 0 711.534 4.899 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)sc2=N1 ZINC000409033374 1066790639 /nfs/dbraw/zinc/79/06/39/1066790639.db2.gz LCVLOQKBAQLQFK-ZGOFBEGVSA-N 0 0 711.534 4.899 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)sc2=N1 ZINC000409033445 1066790987 /nfs/dbraw/zinc/79/09/87/1066790987.db2.gz LJCRMWNSSSNFMG-BIWBSIMWSA-N 0 0 620.083 4.948 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)sc2=N1 ZINC000409033448 1066790948 /nfs/dbraw/zinc/79/09/48/1066790948.db2.gz LJCRMWNSSSNFMG-ZGOFBEGVSA-N 0 0 620.083 4.948 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 ZINC000409033547 1066790616 /nfs/dbraw/zinc/79/06/16/1066790616.db2.gz FOOUOCSOFPKWJU-LCQSEVKBSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 ZINC000409033550 1066790662 /nfs/dbraw/zinc/79/06/62/1066790662.db2.gz FOOUOCSOFPKWJU-UQDCTOEPSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033694 1066790190 /nfs/dbraw/zinc/79/01/90/1066790190.db2.gz OVAHAKBCPVBIEG-VPHSIRQSSA-N 0 0 633.679 4.771 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409033695 1066790256 /nfs/dbraw/zinc/79/02/56/1066790256.db2.gz OVAHAKBCPVBIEG-YVBHXKDBSA-N 0 0 633.679 4.771 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033834 1066790212 /nfs/dbraw/zinc/79/02/12/1066790212.db2.gz MKTGCBMEFBCJIB-IVRZUQNJSA-N 0 0 811.620 4.907 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033837 1066308267 /nfs/dbraw/zinc/30/82/67/1066308267.db2.gz MKTGCBMEFBCJIB-QEEORQGDSA-N 0 0 811.620 4.907 40 5 KJBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409033841 1066790271 /nfs/dbraw/zinc/79/02/71/1066790271.db2.gz MCOWWCJWIOWPEX-HDFSHUSISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409033845 1066308478 /nfs/dbraw/zinc/30/84/78/1066308478.db2.gz MCOWWCJWIOWPEX-LAUBZIAYSA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033955 1066789892 /nfs/dbraw/zinc/78/98/92/1066789892.db2.gz MMFQJVXNNHPIRJ-BQCQJZCVSA-N 0 0 766.623 4.999 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033958 1066789832 /nfs/dbraw/zinc/78/98/32/1066789832.db2.gz MMFQJVXNNHPIRJ-GAPLDZIPSA-N 0 0 766.623 4.999 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409033996 1066789732 /nfs/dbraw/zinc/78/97/32/1066789732.db2.gz MVAGFZVYDQBFAD-HTDPGAKESA-N 0 0 731.780 4.635 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409033997 1066789870 /nfs/dbraw/zinc/78/98/70/1066789870.db2.gz MORZDSBJUSIZRJ-GVMLUORFSA-N 0 0 679.505 4.956 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034000 1066789938 /nfs/dbraw/zinc/78/99/38/1066789938.db2.gz MVAGFZVYDQBFAD-PMYQURGISA-N 0 0 731.780 4.635 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409034004 1066789881 /nfs/dbraw/zinc/78/98/81/1066789881.db2.gz MORZDSBJUSIZRJ-KMBIYUNPSA-N 0 0 679.505 4.956 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 ZINC000409034677 1066788401 /nfs/dbraw/zinc/78/84/01/1066788401.db2.gz QQKXYSAGPBCWRM-LCQSEVKBSA-N 0 0 603.653 4.762 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 ZINC000409034678 1066788286 /nfs/dbraw/zinc/78/82/86/1066788286.db2.gz QQKXYSAGPBCWRM-UQDCTOEPSA-N 0 0 603.653 4.762 40 5 KJBBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)N(C)C1=S ZINC000409035209 1066787902 /nfs/dbraw/zinc/78/79/02/1066787902.db2.gz PAUKWJPLUTWKPI-YVLHZVERSA-N 0 0 649.248 4.803 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035429 1066787574 /nfs/dbraw/zinc/78/75/74/1066787574.db2.gz SRQXUXKMWPTGGT-HTDPGAKESA-N 0 0 731.780 4.635 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035431 1066787616 /nfs/dbraw/zinc/78/76/16/1066787616.db2.gz SRQXUXKMWPTGGT-PMYQURGISA-N 0 0 731.780 4.635 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000409035468 1066787504 /nfs/dbraw/zinc/78/75/04/1066787504.db2.gz SUDFCESBQLFJOO-QPJBPQEWSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000409035471 1066787468 /nfs/dbraw/zinc/78/74/68/1066787468.db2.gz SUDFCESBQLFJOO-QTTRZTASSA-N 0 0 573.627 4.754 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409036457 1066786442 /nfs/dbraw/zinc/78/64/42/1066786442.db2.gz WFRKKQJTMNLKQA-MGSPXPDISA-N 0 0 549.992 4.620 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409036461 1066786370 /nfs/dbraw/zinc/78/63/70/1066786370.db2.gz WFRKKQJTMNLKQA-XPCGLTFESA-N 0 0 549.992 4.620 40 5 KJBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409036633 1066785994 /nfs/dbraw/zinc/78/59/94/1066785994.db2.gz LZZXWKNTSBQWNK-HDFSHUSISA-N 0 0 599.665 4.684 40 5 KJBBRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409036635 1066786049 /nfs/dbraw/zinc/78/60/49/1066786049.db2.gz LZZXWKNTSBQWNK-LAUBZIAYSA-N 0 0 599.665 4.684 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036937 1066785563 /nfs/dbraw/zinc/78/55/63/1066785563.db2.gz RYQSYHKTCALOJY-DLJDGCESSA-N 0 0 682.107 4.570 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036940 1066785571 /nfs/dbraw/zinc/78/55/71/1066785571.db2.gz RYQSYHKTCALOJY-ZKEKZPBLSA-N 0 0 682.107 4.570 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409037357 1066799005 /nfs/dbraw/zinc/79/90/05/1066799005.db2.gz NJLJCBMODJRVPZ-MGSPXPDISA-N 0 0 549.992 4.620 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409037468 1066798473 /nfs/dbraw/zinc/79/84/73/1066798473.db2.gz NRENAHQLBKGARQ-CRCYZHLCSA-N 0 0 591.617 4.893 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409037470 1066798966 /nfs/dbraw/zinc/79/89/66/1066798966.db2.gz NRENAHQLBKGARQ-FQKMCRJQSA-N 0 0 591.617 4.893 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409037750 1066798086 /nfs/dbraw/zinc/79/80/86/1066798086.db2.gz NJLJCBMODJRVPZ-XPCGLTFESA-N 0 0 549.992 4.620 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)sc2=N1 ZINC000409037776 1066798508 /nfs/dbraw/zinc/79/85/08/1066798508.db2.gz NPKYKCMRIJQPOR-ABBNRAPFSA-N 0 0 607.088 4.939 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)sc2=N1 ZINC000409037777 1066798645 /nfs/dbraw/zinc/79/86/45/1066798645.db2.gz NPKYKCMRIJQPOR-CSJROMOCSA-N 0 0 607.088 4.939 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409038212 1066308880 /nfs/dbraw/zinc/30/88/80/1066308880.db2.gz OVIQLJYKJSRNJM-LMSRTUJASA-N 0 0 543.601 4.583 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)sc2=N1 ZINC000409038214 1066797563 /nfs/dbraw/zinc/79/75/63/1066797563.db2.gz OVIQLJYKJSRNJM-RISWYLRJSA-N 0 0 543.601 4.583 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409038317 1066308681 /nfs/dbraw/zinc/30/86/81/1066308681.db2.gz VHBHLSVRONLZMV-QPJBPQEWSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 ZINC000409038319 1066812237 /nfs/dbraw/zinc/81/22/37/1066812237.db2.gz VHBHLSVRONLZMV-QTTRZTASSA-N 0 0 573.627 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038401 1066812243 /nfs/dbraw/zinc/81/22/43/1066812243.db2.gz OVEKRHMOEOPNNI-DVUZPASPSA-N 0 0 682.107 4.570 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038403 1066812254 /nfs/dbraw/zinc/81/22/54/1066812254.db2.gz OVEKRHMOEOPNNI-UNRSNATKSA-N 0 0 682.107 4.570 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038735 1066811743 /nfs/dbraw/zinc/81/17/43/1066811743.db2.gz FKIOXBOCRHSTAY-BQCQJZCVSA-N 0 0 752.198 4.898 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038739 1066811686 /nfs/dbraw/zinc/81/16/86/1066811686.db2.gz FKIOXBOCRHSTAY-GAPLDZIPSA-N 0 0 752.198 4.898 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039340 1066309096 /nfs/dbraw/zinc/30/90/96/1066309096.db2.gz GITSWXYCJUJOEF-BQCQJZCVSA-N 0 0 843.649 4.849 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039342 1066309481 /nfs/dbraw/zinc/30/94/81/1066309481.db2.gz GITSWXYCJUJOEF-GAPLDZIPSA-N 0 0 843.649 4.849 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409039487 1066810268 /nfs/dbraw/zinc/81/02/68/1066810268.db2.gz WRHFELFHGDENKO-GVMLUORFSA-N 0 0 543.601 4.583 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)sc2=N1 ZINC000409039490 1066810280 /nfs/dbraw/zinc/81/02/80/1066810280.db2.gz WRHFELFHGDENKO-KMBIYUNPSA-N 0 0 543.601 4.583 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039966 1066809205 /nfs/dbraw/zinc/80/92/05/1066809205.db2.gz RVJHVRIVGHBGOZ-SLDXWZKBSA-N 0 0 843.649 4.849 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409039967 1066310937 /nfs/dbraw/zinc/31/09/37/1066310937.db2.gz RVJHVRIVGHBGOZ-UOVKPGFYSA-N 0 0 843.649 4.849 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040093 1066808745 /nfs/dbraw/zinc/80/87/45/1066808745.db2.gz XQLCJPDBXDXWFE-BQCQJZCVSA-N 0 0 766.623 4.999 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040098 1066808662 /nfs/dbraw/zinc/80/86/62/1066808662.db2.gz XQLCJPDBXDXWFE-GAPLDZIPSA-N 0 0 766.623 4.999 40 5 KJBBRN CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)N(C)C1=S ZINC000409040244 1066808696 /nfs/dbraw/zinc/80/86/96/1066808696.db2.gz SQNXVJZMFIQSHZ-YVLHZVERSA-N 0 0 649.248 4.803 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040696 1066808175 /nfs/dbraw/zinc/80/81/75/1066808175.db2.gz UDGUPFRIBUGLGL-AJAYTNACSA-N 0 0 675.716 4.534 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040698 1066808200 /nfs/dbraw/zinc/80/82/00/1066808200.db2.gz UDGUPFRIBUGLGL-XKNCUGLGSA-N 0 0 675.716 4.534 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCC(C)C)c([N+](=O)[O-])c3)sc2=N1 ZINC000409040855 1066807713 /nfs/dbraw/zinc/80/77/13/1066807713.db2.gz UXDYQFPBUGTPDX-FJWZAKCXSA-N 0 0 600.491 4.504 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)c(OCC(C)C)c([N+](=O)[O-])c3)sc2=N1 ZINC000409040858 1066807681 /nfs/dbraw/zinc/80/76/81/1066807681.db2.gz UXDYQFPBUGTPDX-RQLGBQGVSA-N 0 0 600.491 4.504 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041007 1066807699 /nfs/dbraw/zinc/80/76/99/1066807699.db2.gz YTVDZMDIHUXFFA-KEPJHFNWSA-N 0 0 633.679 4.771 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409041010 1066807730 /nfs/dbraw/zinc/80/77/30/1066807730.db2.gz YTVDZMDIHUXFFA-MIUGUJGPSA-N 0 0 633.679 4.771 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041969 1066806136 /nfs/dbraw/zinc/80/61/36/1066806136.db2.gz WQKGDMIHAOKORM-GHLYMGRZSA-N 0 0 762.750 4.756 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409041972 1066806218 /nfs/dbraw/zinc/80/62/18/1066806218.db2.gz WQKGDMIHAOKORM-MLCIDIQUSA-N 0 0 762.750 4.756 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042256 1066805725 /nfs/dbraw/zinc/80/57/25/1066805725.db2.gz XACHMSSUUBTCCB-FAVIKPSQSA-N 0 0 722.172 4.889 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042259 1066805569 /nfs/dbraw/zinc/80/55/69/1066805569.db2.gz XACHMSSUUBTCCB-KJDHVJLISA-N 0 0 722.172 4.889 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409042277 1066805702 /nfs/dbraw/zinc/80/57/02/1066805702.db2.gz XCJSNURNZKLFIT-BIWBSIMWSA-N 0 0 620.083 4.948 40 5 KJBBRN 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1066821502 /nfs/dbraw/zinc/82/15/02/1066821502.db2.gz OLJBFOZXEHAXBL-ITIZVALFSA-N 0 0 660.543 4.664 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409048416 1066821576 /nfs/dbraw/zinc/82/15/76/1066821576.db2.gz OLJBFOZXEHAXBL-YXDQGSNCSA-N 0 0 660.543 4.664 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(C)c([N+](=O)[O-])c3)sc2=N1 ZINC000409048452 1066821550 /nfs/dbraw/zinc/82/15/50/1066821550.db2.gz OQRYZBPMOYGZEM-MFUBYVTQSA-N 0 0 600.491 4.566 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C/c3ccc(C)c([N+](=O)[O-])c3)sc2=N1 ZINC000409048454 1066821581 /nfs/dbraw/zinc/82/15/81/1066821581.db2.gz OQRYZBPMOYGZEM-RWTNITNYSA-N 0 0 600.491 4.566 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409048465 1066313662 /nfs/dbraw/zinc/31/36/62/1066313662.db2.gz WRRHEXNWICOKHI-CRCYZHLCSA-N 0 0 711.534 4.899 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)sc2=N1 ZINC000409048467 1066821525 /nfs/dbraw/zinc/82/15/25/1066821525.db2.gz WRRHEXNWICOKHI-FQKMCRJQSA-N 0 0 711.534 4.899 40 5 KJBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409049619 1066819926 /nfs/dbraw/zinc/81/99/26/1066819926.db2.gz XJAUKVBLSNIPOA-RQZCQDPDSA-N 0 0 694.241 4.982 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409049932 1066819871 /nfs/dbraw/zinc/81/98/71/1066819871.db2.gz RMELYSBPSSIYFK-BIWBSIMWSA-N 0 0 681.508 4.890 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)sc2=N1 ZINC000409049934 1066819955 /nfs/dbraw/zinc/81/99/55/1066819955.db2.gz RMELYSBPSSIYFK-ZGOFBEGVSA-N 0 0 681.508 4.890 40 5 KJBBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409050124 1066314468 /nfs/dbraw/zinc/31/44/68/1066314468.db2.gz ZBXHHTUQFSZKDG-YBFXNURJSA-N 0 0 565.398 4.934 40 5 KJBBRN CCOC(=O)CN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409050654 1066812762 /nfs/dbraw/zinc/81/27/62/1066812762.db2.gz YFMNVZONESPDPI-YBFXNURJSA-N 0 0 612.398 4.777 40 5 KJBBRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409050737 195500667 /nfs/dbraw/zinc/50/06/67/195500667.db2.gz ZDMSLSCBFCZITN-BIWBSIMWSA-N 0 0 711.534 4.899 40 5 KJBBRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)sc2=N1 ZINC000409050738 195500753 /nfs/dbraw/zinc/50/07/53/195500753.db2.gz ZDMSLSCBFCZITN-ZGOFBEGVSA-N 0 0 711.534 4.899 40 5 KJBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409051451 1066818796 /nfs/dbraw/zinc/81/87/96/1066818796.db2.gz CPIHESWOSJWWNN-UCQKPKSFSA-N 0 0 568.007 4.983 40 5 KJBBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)N(CC(=O)OC)C2=S)cc1 ZINC000409051952 1066314131 /nfs/dbraw/zinc/31/41/31/1066314131.db2.gz FISDPPIPFITVQO-XYGWBWBKSA-N 0 0 531.590 4.884 40 5 KJBBRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] ZINC000409053397 1066817148 /nfs/dbraw/zinc/81/71/48/1066817148.db2.gz CIFMRFXPQRYHLE-FPMFRTRJSA-N 0 0 612.230 4.930 40 5 KJBBRN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] ZINC000409053400 1066817323 /nfs/dbraw/zinc/81/73/23/1066817323.db2.gz CIFMRFXPQRYHLE-PJYWLYPCSA-N 0 0 612.230 4.930 40 5 KJBBRN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] ZINC000409053403 1066817266 /nfs/dbraw/zinc/81/72/66/1066817266.db2.gz CIFMRFXPQRYHLE-URFUVCHWSA-N 0 0 612.230 4.930 40 5 KJBBRN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409054557 1066816112 /nfs/dbraw/zinc/81/61/12/1066816112.db2.gz BTSJLEGXFVCKKA-UHFFFAOYSA-N 0 0 538.807 4.840 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409058426 1066824527 /nfs/dbraw/zinc/82/45/27/1066824527.db2.gz NCPGBRHIOBKSRU-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409058431 1066824555 /nfs/dbraw/zinc/82/45/55/1066824555.db2.gz NCPGBRHIOBKSRU-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409061070 1066832317 /nfs/dbraw/zinc/83/23/17/1066832317.db2.gz USYRDFSDCJUSRW-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409061071 1066832264 /nfs/dbraw/zinc/83/22/64/1066832264.db2.gz USYRDFSDCJUSRW-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409061721 1066831309 /nfs/dbraw/zinc/83/13/09/1066831309.db2.gz GSGLYDFLNSAPGV-QRVIBDJDSA-N 0 0 598.033 4.992 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409064784 1066828470 /nfs/dbraw/zinc/82/84/70/1066828470.db2.gz GEKGBKQQNRGJPI-DTQASYIRSA-N 0 0 694.241 4.981 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409064786 1066403943 /nfs/dbraw/zinc/40/39/43/1066403943.db2.gz GEKGBKQQNRGJPI-LBFZPMSMSA-N 0 0 694.241 4.981 40 5 KJBBRN CCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409065512 1066827315 /nfs/dbraw/zinc/82/73/15/1066827315.db2.gz MFIHRITWRQJRIN-LICLKQGHSA-N 0 0 510.309 4.835 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409065964 1066826807 /nfs/dbraw/zinc/82/68/07/1066826807.db2.gz LEJZXRQUJLJRHE-NPNVKNKFSA-N 0 0 565.398 4.933 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409065969 1066826763 /nfs/dbraw/zinc/82/67/63/1066826763.db2.gz LEJZXRQUJLJRHE-RNDVCUHJSA-N 0 0 565.398 4.933 40 5 KJBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409066195 1066826602 /nfs/dbraw/zinc/82/66/02/1066826602.db2.gz HLMXUPPVPZCZSU-QRVIBDJDSA-N 0 0 689.484 4.943 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409068301 1066844879 /nfs/dbraw/zinc/84/48/79/1066844879.db2.gz QXDSFCMDLXNWRM-NNLQFVHNSA-N 0 0 521.345 4.534 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409068302 1066844824 /nfs/dbraw/zinc/84/48/24/1066844824.db2.gz QXDSFCMDLXNWRM-SGEFVQMOSA-N 0 0 521.345 4.534 40 5 KJBBRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409068826 1066317398 /nfs/dbraw/zinc/31/73/98/1066317398.db2.gz IWWHZQXNFYIGAL-LICLKQGHSA-N 0 0 510.309 4.835 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409070325 1066841809 /nfs/dbraw/zinc/84/18/09/1066841809.db2.gz FKIMWDFRUCHKEM-MDBUFAAASA-N 0 0 520.947 4.824 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409070328 1066842194 /nfs/dbraw/zinc/84/21/94/1066842194.db2.gz FKIMWDFRUCHKEM-OTGIAGGSSA-N 0 0 520.947 4.824 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071343 1066840496 /nfs/dbraw/zinc/84/04/96/1066840496.db2.gz NVUPAMSGUCIKGC-MDBUFAAASA-N 0 0 565.398 4.933 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071347 1066840574 /nfs/dbraw/zinc/84/05/74/1066840574.db2.gz NVUPAMSGUCIKGC-OTGIAGGSSA-N 0 0 565.398 4.933 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409072260 1066839986 /nfs/dbraw/zinc/83/99/86/1066839986.db2.gz MVCWTWMEAZXCOL-BFNDQCEFSA-N 0 0 551.371 4.543 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409072264 1066840136 /nfs/dbraw/zinc/84/01/36/1066840136.db2.gz MVCWTWMEAZXCOL-DKSCHZSNSA-N 0 0 551.371 4.543 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409072427 1066840129 /nfs/dbraw/zinc/84/01/29/1066840129.db2.gz NKIZOQBTZGEWLF-BFNDQCEFSA-N 0 0 551.371 4.543 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409072431 1066318445 /nfs/dbraw/zinc/31/84/45/1066318445.db2.gz NKIZOQBTZGEWLF-DKSCHZSNSA-N 0 0 551.371 4.543 40 5 KJBBRN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409072655 1066839521 /nfs/dbraw/zinc/83/95/21/1066839521.db2.gz RDZJHFKIPQOTOS-YSMPRRRNSA-N 0 0 556.600 4.754 40 5 KJBBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409075734 1066317982 /nfs/dbraw/zinc/31/79/82/1066317982.db2.gz ZWTYAWKLWOVXJV-UCQKPKSFSA-N 0 0 537.981 4.975 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409076320 1066835333 /nfs/dbraw/zinc/83/53/33/1066835333.db2.gz ANPPUUKLTIYEJU-CMISJSSVSA-N 0 0 655.571 4.858 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409076322 1066835603 /nfs/dbraw/zinc/83/56/03/1066835603.db2.gz ANPPUUKLTIYEJU-DBXPASCUSA-N 0 0 655.571 4.858 40 5 KJBBRN COC(=O)C(=Cc1cc(I)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC ZINC000409076865 1066219212 /nfs/dbraw/zinc/21/92/12/1066219212.db2.gz CLUWCBRXVSLIPW-UHFFFAOYSA-N 0 0 581.237 4.749 40 5 KJBBRN CCCN1C(=O)C(=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)NC1=S ZINC000409077127 1066834422 /nfs/dbraw/zinc/83/44/22/1066834422.db2.gz DATVSQYBHXPRBT-YVLHZVERSA-N 0 0 649.248 4.851 40 5 KJBBRN COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409077824 1066848798 /nfs/dbraw/zinc/84/87/98/1066848798.db2.gz GHDGIZJYWUDRBT-LCQSEVKBSA-N 0 0 644.662 4.591 40 5 KJBBRN COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409078027 1066848215 /nfs/dbraw/zinc/84/82/15/1066848215.db2.gz GHDGIZJYWUDRBT-UQDCTOEPSA-N 0 0 644.662 4.591 40 5 KJBBRN COC(=O)C(=Cc1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC ZINC000409078823 1066847614 /nfs/dbraw/zinc/84/76/14/1066847614.db2.gz JMZQLIQFJLMBTK-UHFFFAOYSA-N 0 0 534.237 4.906 40 5 KJBBRN COC(=O)C(=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)C(=O)OC ZINC000409079002 1066320628 /nfs/dbraw/zinc/32/06/28/1066320628.db2.gz JPPRBHSBEYJSNP-UHFFFAOYSA-N 0 0 560.107 4.550 40 5 KJBBRN COC(=O)C(=Cc1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC ZINC000409079607 1066320541 /nfs/dbraw/zinc/32/05/41/1066320541.db2.gz LFCFFTGGXCFBDL-UHFFFAOYSA-N 0 0 560.107 4.550 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409081167 1066319350 /nfs/dbraw/zinc/31/93/50/1066319350.db2.gz OZOSWOOGMZRHEF-QOUGJOIHSA-N 0 0 599.709 4.880 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409081171 1066319248 /nfs/dbraw/zinc/31/92/48/1066319248.db2.gz OZOSWOOGMZRHEF-REGLKXBMSA-N 0 0 599.709 4.880 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409081671 1066855389 /nfs/dbraw/zinc/85/53/89/1066855389.db2.gz KRFOXRBCFSFAFJ-QPJBPQEWSA-N 0 0 620.083 4.948 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409081675 1066855452 /nfs/dbraw/zinc/85/54/52/1066855452.db2.gz KRFOXRBCFSFAFJ-QTTRZTASSA-N 0 0 620.083 4.948 40 5 KJBBRN COC(=O)C(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)OC ZINC000409082594 1066854187 /nfs/dbraw/zinc/85/41/87/1066854187.db2.gz SVYQXSUIIZMDBA-UHFFFAOYSA-N 0 0 504.211 4.898 40 5 KJBBRN COC(=O)C(=Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC ZINC000409083765 1066320613 /nfs/dbraw/zinc/32/06/13/1066320613.db2.gz WGSNPHPADPTCCN-UHFFFAOYSA-N 0 0 504.211 4.898 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409083863 1066852977 /nfs/dbraw/zinc/85/29/77/1066852977.db2.gz WMIWQNIHWQKUQR-QPJBPQEWSA-N 0 0 620.083 4.948 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000409083866 1066852373 /nfs/dbraw/zinc/85/23/73/1066852373.db2.gz WMIWQNIHWQKUQR-QTTRZTASSA-N 0 0 620.083 4.948 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409084282 1066852404 /nfs/dbraw/zinc/85/24/04/1066852404.db2.gz CKHQUKMJTWUZMS-LCQSEVKBSA-N 0 0 637.114 4.942 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409084289 1066852330 /nfs/dbraw/zinc/85/23/30/1066852330.db2.gz CKHQUKMJTWUZMS-UQDCTOEPSA-N 0 0 637.114 4.942 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409084343 1066852378 /nfs/dbraw/zinc/85/23/78/1066852378.db2.gz CQMZLTWMMZJHIE-WSDLNYQXSA-N 0 0 642.406 4.627 40 5 KJBBRN CCCN1C(=O)C(=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)NC1=S ZINC000409085951 1066850634 /nfs/dbraw/zinc/85/06/34/1066850634.db2.gz UAUNJVPHEWBTSQ-YVLHZVERSA-N 0 0 649.248 4.851 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409086133 1066850723 /nfs/dbraw/zinc/85/07/23/1066850723.db2.gz FPLYARINUMVHJY-MGXIGDRJSA-N 0 0 639.690 4.924 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409086134 1066850738 /nfs/dbraw/zinc/85/07/38/1066850738.db2.gz FPLYARINUMVHJY-RFZPLYKNSA-N 0 0 639.690 4.924 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000409087114 1066849543 /nfs/dbraw/zinc/84/95/43/1066849543.db2.gz AQBVJRDLSZEYDX-QOUGJOIHSA-N 0 0 599.709 4.880 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000409087117 1066849481 /nfs/dbraw/zinc/84/94/81/1066849481.db2.gz AQBVJRDLSZEYDX-REGLKXBMSA-N 0 0 599.709 4.880 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccn4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409087266 1066849402 /nfs/dbraw/zinc/84/94/02/1066849402.db2.gz YBRKQJDRERRMIN-ACJNQYEBSA-N 0 0 591.649 4.581 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccn4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409087269 1066849469 /nfs/dbraw/zinc/84/94/69/1066849469.db2.gz YBRKQJDRERRMIN-HSUOJCLFSA-N 0 0 591.649 4.581 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409087591 1066869936 /nfs/dbraw/zinc/86/99/36/1066869936.db2.gz IZHPOSYYUOQIHF-AMXTYKKZSA-N 0 0 712.604 4.821 40 5 KJBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409087592 1066869976 /nfs/dbraw/zinc/86/99/76/1066869976.db2.gz IZHPOSYYUOQIHF-FVTDTAELSA-N 0 0 712.604 4.821 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3ccc(Sc4ccccc4)o3)sc2=N1 ZINC000409088178 1066869993 /nfs/dbraw/zinc/86/99/93/1066869993.db2.gz FFFHJXJJEXJJCQ-DIXABZHVSA-N 0 0 561.641 4.839 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(=O)/c(=C\c3ccc(Sc4ccccc4)o3)sc2=N1 ZINC000409088179 1066869873 /nfs/dbraw/zinc/86/98/73/1066869873.db2.gz FFFHJXJJEXJJCQ-WNRWPCNTSA-N 0 0 561.641 4.839 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409088226 1066869868 /nfs/dbraw/zinc/86/98/68/1066869868.db2.gz KJEXPQPXMQPGAX-VXLYETTFSA-N 0 0 565.398 4.933 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1cccs1 ZINC000409088394 1066869314 /nfs/dbraw/zinc/86/93/14/1066869314.db2.gz LLIIJNCTKPRKTD-IDGUORLLSA-N 0 0 657.755 4.861 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1cccs1 ZINC000409088397 1066869238 /nfs/dbraw/zinc/86/92/38/1066869238.db2.gz LLIIJNCTKPRKTD-JCXLJCJISA-N 0 0 657.755 4.861 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409088410 1066869352 /nfs/dbraw/zinc/86/93/52/1066869352.db2.gz LPAAIZBJRYSZTE-LPYMAVHISA-N 0 0 565.380 4.776 40 5 KJBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409088494 1066869379 /nfs/dbraw/zinc/86/93/79/1066869379.db2.gz KBJROUIOSNOSTK-RGFRMHDHSA-N 0 0 636.715 4.732 40 5 KJBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409088495 1066203645 /nfs/dbraw/zinc/20/36/45/1066203645.db2.gz KBJROUIOSNOSTK-XQNWCSQWSA-N 0 0 636.715 4.732 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409088826 1066868678 /nfs/dbraw/zinc/86/86/78/1066868678.db2.gz KQDGUSVATHXIFX-IBYCJETLSA-N 0 0 651.170 4.620 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409088827 1066868722 /nfs/dbraw/zinc/86/87/22/1066868722.db2.gz KQDGUSVATHXIFX-OFCKJYIJSA-N 0 0 651.170 4.620 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409089087 1066868634 /nfs/dbraw/zinc/86/86/34/1066868634.db2.gz MWKQCPCMPVQQDP-HPFVHPJRSA-N 0 0 594.137 4.656 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409089091 1066203912 /nfs/dbraw/zinc/20/39/12/1066203912.db2.gz MWKQCPCMPVQQDP-WHNPURCTSA-N 0 0 594.137 4.656 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089134 1066868149 /nfs/dbraw/zinc/86/81/49/1066868149.db2.gz LYBWUEFPVRGCRT-LXYLXTGBSA-N 0 0 667.538 4.667 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089137 1066868217 /nfs/dbraw/zinc/86/82/17/1066868217.db2.gz LYBWUEFPVRGCRT-XGLZOBASSA-N 0 0 667.538 4.667 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409089388 1066321717 /nfs/dbraw/zinc/32/17/17/1066321717.db2.gz NLBQFBPSVMGUCF-MGXIGDRJSA-N 0 0 639.690 4.924 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409089392 1066868213 /nfs/dbraw/zinc/86/82/13/1066868213.db2.gz NLBQFBPSVMGUCF-RFZPLYKNSA-N 0 0 639.690 4.924 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c(OC)c1 ZINC000409089467 1066868141 /nfs/dbraw/zinc/86/81/41/1066868141.db2.gz NVRBSMPWZMJLPR-HRIDGTDGSA-N 0 0 666.741 4.741 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c(OC)c1 ZINC000409089472 1066868243 /nfs/dbraw/zinc/86/82/43/1066868243.db2.gz NVRBSMPWZMJLPR-NULZLWRNSA-N 0 0 666.741 4.741 40 5 KJBBRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409089862 1066866934 /nfs/dbraw/zinc/86/69/34/1066866934.db2.gz KSFGOPYPVPCOLG-UHFFFAOYSA-N 0 0 538.807 4.840 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409089945 1066867516 /nfs/dbraw/zinc/86/75/16/1066867516.db2.gz PIAARPFGBVWPGH-DBLMTGOPSA-N 0 0 639.715 4.810 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409089947 1066867332 /nfs/dbraw/zinc/86/73/32/1066867332.db2.gz PIAARPFGBVWPGH-GKKFRVOYSA-N 0 0 639.715 4.810 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409090565 1066866899 /nfs/dbraw/zinc/86/68/99/1066866899.db2.gz RFPSPSGTRVDNHR-NNLQFVHNSA-N 0 0 551.371 4.543 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409090566 1066866943 /nfs/dbraw/zinc/86/69/43/1066866943.db2.gz RFPSPSGTRVDNHR-SGEFVQMOSA-N 0 0 551.371 4.543 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409090902 1066865650 /nfs/dbraw/zinc/86/56/50/1066865650.db2.gz NMDLYEKAROVLFO-ACJNQYEBSA-N 0 0 591.649 4.581 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000409090903 1066865745 /nfs/dbraw/zinc/86/57/45/1066865745.db2.gz NMDLYEKAROVLFO-HSUOJCLFSA-N 0 0 591.649 4.581 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000409091219 1066865223 /nfs/dbraw/zinc/86/52/23/1066865223.db2.gz RSCFFNORDQBQAO-KJANZVAVSA-N 0 0 621.700 4.785 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409091220 1066865307 /nfs/dbraw/zinc/86/53/07/1066865307.db2.gz RSCFFNORDQBQAO-PDUUCECCSA-N 0 0 621.700 4.785 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409091304 1066865203 /nfs/dbraw/zinc/86/52/03/1066865203.db2.gz SOMQARITNJAKQY-QPJBPQEWSA-N 0 0 607.088 4.934 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409091306 1066865301 /nfs/dbraw/zinc/86/53/01/1066865301.db2.gz SOMQARITNJAKQY-QTTRZTASSA-N 0 0 607.088 4.934 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409091488 1066864557 /nfs/dbraw/zinc/86/45/57/1066864557.db2.gz UTVBAKPYMUEIOH-ITNPZBTBSA-N 0 0 630.723 4.906 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409091491 1066864582 /nfs/dbraw/zinc/86/45/82/1066864582.db2.gz UTVBAKPYMUEIOH-UAMLYEQYSA-N 0 0 630.723 4.906 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092235 1066863573 /nfs/dbraw/zinc/86/35/73/1066863573.db2.gz UGYVGHMWSQVSBU-LXYLXTGBSA-N 0 0 667.538 4.667 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092236 1066863606 /nfs/dbraw/zinc/86/36/06/1066863606.db2.gz UGYVGHMWSQVSBU-XGLZOBASSA-N 0 0 667.538 4.667 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C2=O)cc1 ZINC000409092843 1066862782 /nfs/dbraw/zinc/86/27/82/1066862782.db2.gz ZQMKIUOAFYRZMY-LPYMAVHISA-N 0 0 523.523 4.937 40 5 KJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409092866 1066862678 /nfs/dbraw/zinc/86/26/78/1066862678.db2.gz ZZVROIZYSDOJSO-VXLYETTFSA-N 0 0 582.372 4.766 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409093557 1066862873 /nfs/dbraw/zinc/86/28/73/1066862873.db2.gz AQAVPINBEVCXIX-RAWKODRKSA-N 0 0 612.708 4.599 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409093559 1066862791 /nfs/dbraw/zinc/86/27/91/1066862791.db2.gz AQAVPINBEVCXIX-XGLKJEJJSA-N 0 0 612.708 4.599 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409093998 1066862394 /nfs/dbraw/zinc/86/23/94/1066862394.db2.gz CGSOHLVYGXSFCM-DJTCXORXSA-N 0 0 712.604 4.818 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409094001 1066862401 /nfs/dbraw/zinc/86/24/01/1066862401.db2.gz CGSOHLVYGXSFCM-LNXFQTKESA-N 0 0 712.604 4.818 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409094258 1066861250 /nfs/dbraw/zinc/86/12/50/1066861250.db2.gz CXFGJOIAAOUGQR-RJFKIUDMSA-N 0 0 642.744 4.799 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409094259 1066861131 /nfs/dbraw/zinc/86/11/31/1066861131.db2.gz CXFGJOIAAOUGQR-WPUHHHFCSA-N 0 0 642.744 4.799 40 5 KJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409094463 1066321047 /nfs/dbraw/zinc/32/10/47/1066321047.db2.gz DGOANEVUIRBIRB-VXLYETTFSA-N 0 0 535.372 4.924 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000409094532 1066861119 /nfs/dbraw/zinc/86/11/19/1066861119.db2.gz FMFUIQQQOKRBTM-LPYMAVHISA-N 0 0 612.380 4.618 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409094537 1066861259 /nfs/dbraw/zinc/86/12/59/1066861259.db2.gz DPHNVKIXOLVSKF-WSDLNYQXSA-N 0 0 595.406 4.785 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409094589 1066861163 /nfs/dbraw/zinc/86/11/63/1066861163.db2.gz FFGFMTMGANAUTQ-NPHLBUJTSA-N 0 0 669.716 4.938 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409094590 1066204425 /nfs/dbraw/zinc/20/44/25/1066204425.db2.gz FFGFMTMGANAUTQ-UJVJZFQOSA-N 0 0 669.716 4.938 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409094949 1066860605 /nfs/dbraw/zinc/86/06/05/1066860605.db2.gz GTVHJMDCMDBUCC-VXLYETTFSA-N 0 0 520.947 4.824 40 5 KJBBRN CCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409095039 1066860526 /nfs/dbraw/zinc/86/05/26/1066860526.db2.gz AZJHXVGRTIMCLG-LICLKQGHSA-N 0 0 540.335 4.843 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095063 1066860671 /nfs/dbraw/zinc/86/06/71/1066860671.db2.gz GOPTZMZENHDDLB-MKWGYRPRSA-N 0 0 577.062 4.925 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095065 1066860516 /nfs/dbraw/zinc/86/05/16/1066860516.db2.gz GOPTZMZENHDDLB-OCEWKHMESA-N 0 0 577.062 4.925 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000409095166 1066859972 /nfs/dbraw/zinc/85/99/72/1066859972.db2.gz HCWCARWGEOPWKJ-IDGUORLLSA-N 0 0 657.755 4.861 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000409095167 1066860737 /nfs/dbraw/zinc/86/07/37/1066860737.db2.gz HCWCARWGEOPWKJ-JCXLJCJISA-N 0 0 657.755 4.861 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409095382 1066859899 /nfs/dbraw/zinc/85/98/99/1066859899.db2.gz AYHKJGZZRNNLSJ-SSDVNMTOSA-N 0 0 595.406 4.785 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccccc1 ZINC000409095447 1066859498 /nfs/dbraw/zinc/85/94/98/1066859498.db2.gz HXKTUYNIRINRPG-LRNOEHBCSA-N 0 0 651.726 4.799 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409095449 1066859515 /nfs/dbraw/zinc/85/95/15/1066859515.db2.gz HXKTUYNIRINRPG-LTHLYLQDSA-N 0 0 651.726 4.799 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409095514 1066859418 /nfs/dbraw/zinc/85/94/18/1066859418.db2.gz BJMOIHJWZDCIDW-AYMIJMNYSA-N 0 0 681.752 4.808 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409095517 1066859364 /nfs/dbraw/zinc/85/93/64/1066859364.db2.gz BJMOIHJWZDCIDW-VXBWEVHPSA-N 0 0 681.752 4.808 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409095530 1066860005 /nfs/dbraw/zinc/86/00/05/1066860005.db2.gz HTWCUBLUVRVMPU-ASUJOLEISA-N 0 0 642.734 4.608 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409095535 1066859952 /nfs/dbraw/zinc/85/99/52/1066859952.db2.gz HQILJNYENREPOJ-HMXFMCBNSA-N 0 0 651.726 4.794 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409095537 1066860011 /nfs/dbraw/zinc/86/00/11/1066860011.db2.gz HTWCUBLUVRVMPU-OGMUYLFESA-N 0 0 642.734 4.608 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409095543 1066860067 /nfs/dbraw/zinc/86/00/67/1066860067.db2.gz HQILJNYENREPOJ-NLTKXKDSSA-N 0 0 651.726 4.794 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409095563 1066858773 /nfs/dbraw/zinc/85/87/73/1066858773.db2.gz DCIJWWTUEKRHAA-AHNSQEAUSA-N 0 0 681.752 4.802 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409095574 1066859414 /nfs/dbraw/zinc/85/94/14/1066859414.db2.gz DCIJWWTUEKRHAA-ZNRKBWGRSA-N 0 0 681.752 4.802 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n21 ZINC000409095735 1066858842 /nfs/dbraw/zinc/85/88/42/1066858842.db2.gz INGQHPNUUWGBME-AMXTYKKZSA-N 0 0 712.604 4.821 40 5 KJBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n21 ZINC000409095737 1066858856 /nfs/dbraw/zinc/85/88/56/1066858856.db2.gz INGQHPNUUWGBME-FVTDTAELSA-N 0 0 712.604 4.821 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409096063 1066858243 /nfs/dbraw/zinc/85/82/43/1066858243.db2.gz FIIRBAQXTAESBS-FAAWKKKDSA-N 0 0 669.741 4.824 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409096073 1066858168 /nfs/dbraw/zinc/85/81/68/1066858168.db2.gz FIIRBAQXTAESBS-WLBMKMHBSA-N 0 0 669.741 4.824 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409096142 1066857763 /nfs/dbraw/zinc/85/77/63/1066857763.db2.gz IZSNQBJWLGPBHW-MKWGYRPRSA-N 0 0 577.062 4.925 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409096149 1066857682 /nfs/dbraw/zinc/85/76/82/1066857682.db2.gz IZSNQBJWLGPBHW-OCEWKHMESA-N 0 0 577.062 4.925 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409096166 1066857711 /nfs/dbraw/zinc/85/77/11/1066857711.db2.gz CQEVREXMSVAMHE-BFOKUZPWSA-N 0 0 681.752 4.802 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409096173 1066858159 /nfs/dbraw/zinc/85/81/59/1066858159.db2.gz CQEVREXMSVAMHE-CFEDROAVSA-N 0 0 681.752 4.802 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409096176 1066858309 /nfs/dbraw/zinc/85/83/09/1066858309.db2.gz JCKSSYSUKGFXND-HRIDGTDGSA-N 0 0 666.741 4.741 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409096177 1066858224 /nfs/dbraw/zinc/85/82/24/1066858224.db2.gz FODPJSRDOZRRPJ-RBXKPUFLSA-N 0 0 654.705 4.876 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409096180 1066858255 /nfs/dbraw/zinc/85/82/55/1066858255.db2.gz JCKSSYSUKGFXND-NULZLWRNSA-N 0 0 666.741 4.741 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409096181 1066858293 /nfs/dbraw/zinc/85/82/93/1066858293.db2.gz FODPJSRDOZRRPJ-STEKTNRRSA-N 0 0 654.705 4.876 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409096323 1066857704 /nfs/dbraw/zinc/85/77/04/1066857704.db2.gz JPJUXULKSPPHNB-LCQSEVKBSA-N 0 0 637.114 4.942 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409096324 1066857670 /nfs/dbraw/zinc/85/76/70/1066857670.db2.gz JPJUXULKSPPHNB-UQDCTOEPSA-N 0 0 637.114 4.942 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409096474 1066857270 /nfs/dbraw/zinc/85/72/70/1066857270.db2.gz KFLDVSNQSIPZCI-WSDLNYQXSA-N 0 0 595.406 4.785 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409096503 1066857257 /nfs/dbraw/zinc/85/72/57/1066857257.db2.gz FUSARQNSDPRMGT-RGFRMHDHSA-N 0 0 586.670 4.589 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409096520 1066857125 /nfs/dbraw/zinc/85/71/25/1066857125.db2.gz FUSARQNSDPRMGT-XQNWCSQWSA-N 0 0 586.670 4.589 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409096534 1066857088 /nfs/dbraw/zinc/85/70/88/1066857088.db2.gz KLQXVUOBOBVYAN-AYMIJMNYSA-N 0 0 681.752 4.808 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409096541 1066322249 /nfs/dbraw/zinc/32/22/49/1066322249.db2.gz KLQXVUOBOBVYAN-VXBWEVHPSA-N 0 0 681.752 4.808 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409096611 1066857133 /nfs/dbraw/zinc/85/71/33/1066857133.db2.gz KBDCOLOEWLWXHQ-HMXFMCBNSA-N 0 0 651.726 4.794 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409096616 1066857053 /nfs/dbraw/zinc/85/70/53/1066857053.db2.gz KBDCOLOEWLWXHQ-NLTKXKDSSA-N 0 0 651.726 4.794 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409096668 1066857143 /nfs/dbraw/zinc/85/71/43/1066857143.db2.gz LTCMRVWQLQNFPF-DBLMTGOPSA-N 0 0 639.715 4.810 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409096672 1066857070 /nfs/dbraw/zinc/85/70/70/1066857070.db2.gz LTCMRVWQLQNFPF-GKKFRVOYSA-N 0 0 639.715 4.810 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409096806 1066856484 /nfs/dbraw/zinc/85/64/84/1066856484.db2.gz KRPIFMWVZHZZLX-NNLQFVHNSA-N 0 0 521.345 4.534 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409096809 1066856559 /nfs/dbraw/zinc/85/65/59/1066856559.db2.gz KRPIFMWVZHZZLX-SGEFVQMOSA-N 0 0 521.345 4.534 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccccc1 ZINC000409097166 1066855932 /nfs/dbraw/zinc/85/59/32/1066855932.db2.gz MQBWICJVSBYESJ-KJANZVAVSA-N 0 0 621.700 4.785 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409097173 1066322037 /nfs/dbraw/zinc/32/20/37/1066322037.db2.gz MQBWICJVSBYESJ-PDUUCECCSA-N 0 0 621.700 4.785 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409097196 1066403751 /nfs/dbraw/zinc/40/37/51/1066403751.db2.gz NESLMXJQXFQQIH-DTQASYIRSA-N 0 0 694.241 4.981 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409097200 1066856081 /nfs/dbraw/zinc/85/60/81/1066856081.db2.gz NESLMXJQXFQQIH-LBFZPMSMSA-N 0 0 694.241 4.981 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 ZINC000409097281 1066855942 /nfs/dbraw/zinc/85/59/42/1066855942.db2.gz ICNYSEDNWVLJHB-LPYMAVHISA-N 0 0 523.523 4.937 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409097329 1066879255 /nfs/dbraw/zinc/87/92/55/1066879255.db2.gz MFMPSSJUPXLKHZ-WSDLNYQXSA-N 0 0 550.955 4.676 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409097513 1066878708 /nfs/dbraw/zinc/87/87/08/1066878708.db2.gz GWEAUGJJVZEYEZ-MKWGYRPRSA-N 0 0 577.062 4.925 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409097518 1066878769 /nfs/dbraw/zinc/87/87/69/1066878769.db2.gz GWEAUGJJVZEYEZ-OCEWKHMESA-N 0 0 577.062 4.925 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409097687 1066878681 /nfs/dbraw/zinc/87/86/81/1066878681.db2.gz JBNIZPFEEKWRJD-MRWVFDTMSA-N 0 0 642.734 4.608 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409097690 1066878736 /nfs/dbraw/zinc/87/87/36/1066878736.db2.gz JBNIZPFEEKWRJD-NBQDTTAVSA-N 0 0 642.734 4.608 40 5 KJBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409097743 1066878256 /nfs/dbraw/zinc/87/82/56/1066878256.db2.gz JGJIOQHIBIMIDX-NTWBUQQASA-N 0 0 606.689 4.723 40 5 KJBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409097748 1066878204 /nfs/dbraw/zinc/87/82/04/1066878204.db2.gz JGJIOQHIBIMIDX-XKGHIZKOSA-N 0 0 606.689 4.723 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409097760 1066878245 /nfs/dbraw/zinc/87/82/45/1066878245.db2.gz JHEPPOMTHRASKW-QPJBPQEWSA-N 0 0 607.088 4.934 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409097763 1066878196 /nfs/dbraw/zinc/87/81/96/1066878196.db2.gz JHEPPOMTHRASKW-QTTRZTASSA-N 0 0 607.088 4.934 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 ZINC000409097835 1066878308 /nfs/dbraw/zinc/87/83/08/1066878308.db2.gz OQZNKXWOQFOGJB-CVMWMZFYSA-N 0 0 627.729 4.847 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 ZINC000409097840 1066878132 /nfs/dbraw/zinc/87/81/32/1066878132.db2.gz OQZNKXWOQFOGJB-QAHUDSGCSA-N 0 0 627.729 4.847 40 5 KJBBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409097879 1066878263 /nfs/dbraw/zinc/87/82/63/1066878263.db2.gz OTAZJXXVFDGJRD-PLQXQRLBSA-N 0 0 638.127 4.698 40 5 KJBBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409097888 1066877451 /nfs/dbraw/zinc/87/74/51/1066877451.db2.gz OTAZJXXVFDGJRD-VVNKCDPRSA-N 0 0 638.127 4.698 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409097895 1066877523 /nfs/dbraw/zinc/87/75/23/1066877523.db2.gz OTFLLWJGSREJHR-WSDLNYQXSA-N 0 0 550.955 4.676 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409097909 1066877577 /nfs/dbraw/zinc/87/75/77/1066877577.db2.gz JPUAHMQHBDQYRI-VXLYETTFSA-N 0 0 565.398 4.933 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409097972 1066878157 /nfs/dbraw/zinc/87/81/57/1066878157.db2.gz JSDLPDUUYXCNJY-RBXKPUFLSA-N 0 0 654.705 4.876 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409097978 1066878172 /nfs/dbraw/zinc/87/81/72/1066878172.db2.gz JSDLPDUUYXCNJY-STEKTNRRSA-N 0 0 654.705 4.876 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409098086 1066877583 /nfs/dbraw/zinc/87/75/83/1066877583.db2.gz IGYBBHVXZZEJDE-HRIDGTDGSA-N 0 0 616.696 4.597 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409098091 1066877606 /nfs/dbraw/zinc/87/76/06/1066877606.db2.gz IGYBBHVXZZEJDE-NULZLWRNSA-N 0 0 616.696 4.597 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409098326 1066877509 /nfs/dbraw/zinc/87/75/09/1066877509.db2.gz KYZZVGLLZAXHLT-HRIDGTDGSA-N 0 0 616.696 4.597 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409098332 1066877547 /nfs/dbraw/zinc/87/75/47/1066877547.db2.gz KYZZVGLLZAXHLT-NULZLWRNSA-N 0 0 616.696 4.597 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409098472 1066877083 /nfs/dbraw/zinc/87/70/83/1066877083.db2.gz LTTGQPYMNUDYCT-NCKPAOEESA-N 0 0 742.630 4.832 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409098476 1066877558 /nfs/dbraw/zinc/87/75/58/1066877558.db2.gz LTTGQPYMNUDYCT-ZREQCCPOSA-N 0 0 742.630 4.832 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409098552 1066204278 /nfs/dbraw/zinc/20/42/78/1066204278.db2.gz ITUQKNVYAOKZPV-LPYMAVHISA-N 0 0 565.380 4.776 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409098707 1066877045 /nfs/dbraw/zinc/87/70/45/1066877045.db2.gz JKUDUZVDHVMRAW-MGSPXPDISA-N 0 0 608.101 4.690 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409098708 1066877067 /nfs/dbraw/zinc/87/70/67/1066877067.db2.gz JKUDUZVDHVMRAW-XPCGLTFESA-N 0 0 608.101 4.690 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409098789 1066877013 /nfs/dbraw/zinc/87/70/13/1066877013.db2.gz PNQFOXJFZLXZRI-MGSPXPDISA-N 0 0 608.101 4.690 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409098790 1066876993 /nfs/dbraw/zinc/87/69/93/1066876993.db2.gz PNQFOXJFZLXZRI-XPCGLTFESA-N 0 0 608.101 4.690 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409098791 1066877074 /nfs/dbraw/zinc/87/70/74/1066877074.db2.gz PNUKLOVFUBLFLN-NQDYMZAQSA-N 0 0 638.127 4.704 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)cc2[N+](=O)[O-])n1 ZINC000409098792 1066322568 /nfs/dbraw/zinc/32/25/68/1066322568.db2.gz PNUKLOVFUBLFLN-RTOMEVGKSA-N 0 0 638.127 4.704 40 5 KJBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409098939 1066876479 /nfs/dbraw/zinc/87/64/79/1066876479.db2.gz MVKGRDIIHVKVBG-OWXSRONMSA-N 0 0 612.718 4.785 40 5 KJBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)sc2=N1 ZINC000409098940 1066876491 /nfs/dbraw/zinc/87/64/91/1066876491.db2.gz MVKGRDIIHVKVBG-ZMIGGIFCSA-N 0 0 612.718 4.785 40 5 KJBBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n21 ZINC000409098961 1066876532 /nfs/dbraw/zinc/87/65/32/1066876532.db2.gz RPRRHGRZKSDLCV-AMXTYKKZSA-N 0 0 668.153 4.712 40 5 KJBBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n21 ZINC000409098963 1066876423 /nfs/dbraw/zinc/87/64/23/1066876423.db2.gz RPRRHGRZKSDLCV-FVTDTAELSA-N 0 0 668.153 4.712 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409099161 1066876473 /nfs/dbraw/zinc/87/64/73/1066876473.db2.gz JWCLPFHGCMZOFU-HRIDGTDGSA-N 0 0 616.696 4.597 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409099165 1066876498 /nfs/dbraw/zinc/87/64/98/1066876498.db2.gz SIRJJNWEWDXSSK-FAAWKKKDSA-N 0 0 669.741 4.824 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409099166 1066876464 /nfs/dbraw/zinc/87/64/64/1066876464.db2.gz JWCLPFHGCMZOFU-NULZLWRNSA-N 0 0 616.696 4.597 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409099167 1066876413 /nfs/dbraw/zinc/87/64/13/1066876413.db2.gz SIRJJNWEWDXSSK-WLBMKMHBSA-N 0 0 669.741 4.824 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409099288 1066876014 /nfs/dbraw/zinc/87/60/14/1066876014.db2.gz PXJXKIULUSVYGI-RGFRMHDHSA-N 0 0 586.670 4.589 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409099289 1066875925 /nfs/dbraw/zinc/87/59/25/1066875925.db2.gz PXJXKIULUSVYGI-XQNWCSQWSA-N 0 0 586.670 4.589 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409099341 1066875899 /nfs/dbraw/zinc/87/58/99/1066875899.db2.gz QJCQRYDGQQBTED-NPNVKNKFSA-N 0 0 565.398 4.933 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409099343 1066322603 /nfs/dbraw/zinc/32/26/03/1066322603.db2.gz QJCQRYDGQQBTED-RNDVCUHJSA-N 0 0 565.398 4.933 40 5 KJBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(=O)[nH]4)c(=O)n32)c1 ZINC000409099349 1066875202 /nfs/dbraw/zinc/87/52/02/1066875202.db2.gz LIQHUULDOFRYNG-MFISQUFLSA-N 0 0 666.741 4.746 40 5 KJBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(=O)[nH]4)c(=O)n32)c1 ZINC000409099351 1066875344 /nfs/dbraw/zinc/87/53/44/1066875344.db2.gz LIQHUULDOFRYNG-RGDUZTMSSA-N 0 0 666.741 4.746 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(=O)[nH]4)c(=O)n32)c(OC)c1 ZINC000409099366 1066875277 /nfs/dbraw/zinc/87/52/77/1066875277.db2.gz QPNJFXGOLSAXET-CWPZDHDOSA-N 0 0 696.767 4.755 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(=O)[nH]4)c(=O)n32)c(OC)c1 ZINC000409099367 1066322498 /nfs/dbraw/zinc/32/24/98/1066322498.db2.gz QPNJFXGOLSAXET-JGAIACPSSA-N 0 0 696.767 4.755 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409099415 1066875837 /nfs/dbraw/zinc/87/58/37/1066875837.db2.gz SFFLRAODPXCXFC-DBLMTGOPSA-N 0 0 636.715 4.737 40 5 KJBBRN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=c2sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000409099416 1066875932 /nfs/dbraw/zinc/87/59/32/1066875932.db2.gz SFFLRAODPXCXFC-GKKFRVOYSA-N 0 0 636.715 4.737 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409099893 1066322460 /nfs/dbraw/zinc/32/24/60/1066322460.db2.gz MRZPDBHYFKDWSF-VXLYETTFSA-N 0 0 612.398 4.775 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409100124 1066873877 /nfs/dbraw/zinc/87/38/77/1066873877.db2.gz SNWNUBXUHIHMBM-KAEZHMCDSA-N 0 0 711.778 4.816 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409100126 1066874173 /nfs/dbraw/zinc/87/41/73/1066874173.db2.gz SNWNUBXUHIHMBM-LMCWBUNHSA-N 0 0 711.778 4.816 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409100201 1066874632 /nfs/dbraw/zinc/87/46/32/1066874632.db2.gz SZANGAKRXPVYMX-NNLQFVHNSA-N 0 0 551.371 4.543 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409100203 1066874790 /nfs/dbraw/zinc/87/47/90/1066874790.db2.gz SZANGAKRXPVYMX-SGEFVQMOSA-N 0 0 551.371 4.543 40 5 KJBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409100452 1066874020 /nfs/dbraw/zinc/87/40/20/1066874020.db2.gz NMWWNEODWUJEBO-NNLQFVHNSA-N 0 0 521.345 4.534 40 5 KJBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409100453 1066874078 /nfs/dbraw/zinc/87/40/78/1066874078.db2.gz NMWWNEODWUJEBO-SGEFVQMOSA-N 0 0 521.345 4.534 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000409100513 1066873195 /nfs/dbraw/zinc/87/31/95/1066873195.db2.gz UAZHZFBIBDMLRJ-LPYMAVHISA-N 0 0 565.380 4.776 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409100523 1066873436 /nfs/dbraw/zinc/87/34/36/1066873436.db2.gz UEKQBYAOMUNYCB-AYMIJMNYSA-N 0 0 681.752 4.808 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409100524 1066873361 /nfs/dbraw/zinc/87/33/61/1066873361.db2.gz UEKQBYAOMUNYCB-VXBWEVHPSA-N 0 0 681.752 4.808 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n21 ZINC000409100743 1066873428 /nfs/dbraw/zinc/87/34/28/1066873428.db2.gz RYKFQQMJEQAKOK-PLQXQRLBSA-N 0 0 682.578 4.807 40 5 KJBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n21 ZINC000409100748 1066873287 /nfs/dbraw/zinc/87/32/87/1066873287.db2.gz RYKFQQMJEQAKOK-VVNKCDPRSA-N 0 0 682.578 4.807 40 5 KJBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Sc5nc(C)cc(=O)[nH]5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409100856 1066872648 /nfs/dbraw/zinc/87/26/48/1066872648.db2.gz XCKXAGKFEPUACS-NAIWQIQESA-N 0 0 666.741 4.746 40 5 KJBBRN 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ZINC000409101018 1066872873 /nfs/dbraw/zinc/87/28/73/1066872873.db2.gz OLCWCYRSODPINZ-NULZLWRNSA-N 0 0 616.696 4.597 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409101065 1066872877 /nfs/dbraw/zinc/87/28/77/1066872877.db2.gz PFUTWNADLFMLJI-QKSFETHESA-N 0 0 621.144 4.606 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409101066 1066872834 /nfs/dbraw/zinc/87/28/34/1066872834.db2.gz PFUTWNADLFMLJI-ZDQFFALBSA-N 0 0 621.144 4.606 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 ZINC000409101109 1066872104 /nfs/dbraw/zinc/87/21/04/1066872104.db2.gz VIYADPTWPRQMFA-LPYMAVHISA-N 0 0 612.380 4.618 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000409101138 1066872263 /nfs/dbraw/zinc/87/22/63/1066872263.db2.gz VUOPCZFUZAANKS-LPYMAVHISA-N 0 0 565.380 4.776 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409101183 1066872198 /nfs/dbraw/zinc/87/21/98/1066872198.db2.gz AHFROYVKWBZBQB-HRIDGTDGSA-N 0 0 616.696 4.597 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409101186 1066872396 /nfs/dbraw/zinc/87/23/96/1066872396.db2.gz AHFROYVKWBZBQB-NULZLWRNSA-N 0 0 616.696 4.597 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cccs1 ZINC000409101479 1066872375 /nfs/dbraw/zinc/87/23/75/1066872375.db2.gz YLIMXQNVFCEPFM-CVMWMZFYSA-N 0 0 627.729 4.847 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cccs1 ZINC000409101482 1066872227 /nfs/dbraw/zinc/87/22/27/1066872227.db2.gz YLIMXQNVFCEPFM-QAHUDSGCSA-N 0 0 627.729 4.847 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409101593 1066871745 /nfs/dbraw/zinc/87/17/45/1066871745.db2.gz PRJQJHOSHUFQIA-VXLYETTFSA-N 0 0 612.398 4.775 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409101603 1066871721 /nfs/dbraw/zinc/87/17/21/1066871721.db2.gz YSMOQFRTBVPBOV-FDWYDHMUSA-N 0 0 695.735 4.528 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409101606 1066871670 /nfs/dbraw/zinc/87/16/70/1066871670.db2.gz YSMOQFRTBVPBOV-WFJXWAAWSA-N 0 0 695.735 4.528 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409101740 1066871548 /nfs/dbraw/zinc/87/15/48/1066871548.db2.gz QYJQJTJKWINQNX-NSCPVDEPSA-N 0 0 695.735 4.528 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409101742 1066871803 /nfs/dbraw/zinc/87/18/03/1066871803.db2.gz QYJQJTJKWINQNX-WOZRVJTFSA-N 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/nfs/dbraw/zinc/87/17/94/1066871794.db2.gz ZPPIWYPNVQEYLI-XGLKJEJJSA-N 0 0 612.708 4.599 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409101989 1066871004 /nfs/dbraw/zinc/87/10/04/1066871004.db2.gz ZNUKHVUQGFWTKZ-QPJBPQEWSA-N 0 0 607.088 4.934 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409101993 1066871071 /nfs/dbraw/zinc/87/10/71/1066871071.db2.gz ZNUKHVUQGFWTKZ-QTTRZTASSA-N 0 0 607.088 4.934 40 5 KJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409102000 1066323047 /nfs/dbraw/zinc/32/30/47/1066323047.db2.gz XNOIVZTZXZCNLQ-VXLYETTFSA-N 0 0 535.372 4.924 40 5 KJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409102051 1066870998 /nfs/dbraw/zinc/87/09/98/1066870998.db2.gz ZROJHTNNURRPIW-VXLYETTFSA-N 0 0 582.372 4.766 40 5 KJBBRN 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ZINC000409102205 1066870368 /nfs/dbraw/zinc/87/03/68/1066870368.db2.gz DDEGHNAXTXZGTD-DSZCBWBRSA-N 0 0 681.752 4.808 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409102207 1066870518 /nfs/dbraw/zinc/87/05/18/1066870518.db2.gz DDEGHNAXTXZGTD-FTFCHFIQSA-N 0 0 681.752 4.808 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409102269 1066887247 /nfs/dbraw/zinc/88/72/47/1066887247.db2.gz YKEPUFKALYZDOQ-CYGYJLBOSA-N 0 0 621.719 4.964 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409102271 1066887090 /nfs/dbraw/zinc/88/70/90/1066887090.db2.gz YKEPUFKALYZDOQ-YOWYGEOISA-N 0 0 621.719 4.964 40 5 KJBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409102293 1066887208 /nfs/dbraw/zinc/88/72/08/1066887208.db2.gz RNGZZAXSBNNKBM-NTWBUQQASA-N 0 0 606.689 4.723 40 5 KJBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409102294 1066887221 /nfs/dbraw/zinc/88/72/21/1066887221.db2.gz RNGZZAXSBNNKBM-XKGHIZKOSA-N 0 0 606.689 4.723 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000409102358 1066887258 /nfs/dbraw/zinc/88/72/58/1066887258.db2.gz SFSXOAXASYBLHQ-LRNOEHBCSA-N 0 0 651.726 4.799 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409102361 1066887165 /nfs/dbraw/zinc/88/71/65/1066887165.db2.gz SFSXOAXASYBLHQ-LTHLYLQDSA-N 0 0 651.726 4.799 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409102494 1066886710 /nfs/dbraw/zinc/88/67/10/1066886710.db2.gz AKCCMAOAKGVGJU-NAIWQIQESA-N 0 0 665.709 4.514 40 5 KJBBRN 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ZINC000409102564 1066886697 /nfs/dbraw/zinc/88/66/97/1066886697.db2.gz DHOHRGKWSGIIMH-XDYZZPCYSA-N 0 0 672.760 4.617 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409102591 1066323141 /nfs/dbraw/zinc/32/31/41/1066323141.db2.gz YVEVMXGOQKSKTR-AWQFTUOYSA-N 0 0 565.398 4.933 40 5 KJBBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c1 ZINC000409102853 1066886102 /nfs/dbraw/zinc/88/61/02/1066886102.db2.gz FIRQNTJKXFAQIH-IAOUMNOZSA-N 0 0 636.715 4.732 40 5 KJBBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c1 ZINC000409102856 1066886281 /nfs/dbraw/zinc/88/62/81/1066886281.db2.gz FIRQNTJKXFAQIH-RYOBIWAXSA-N 0 0 636.715 4.732 40 5 KJBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5nc(C)cc(=O)[nH]5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409102858 1066886182 /nfs/dbraw/zinc/88/61/82/1066886182.db2.gz WIILXVUVRMLAMZ-ARLGEPFESA-N 0 0 649.776 4.772 40 5 KJBBRN 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/nfs/dbraw/zinc/88/57/15/1066885715.db2.gz GPUZDYXLJVKFIK-NULZLWRNSA-N 0 0 600.697 4.897 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409103359 1066885767 /nfs/dbraw/zinc/88/57/67/1066885767.db2.gz GSMGLWCUGKFTIF-CYGYJLBOSA-N 0 0 621.719 4.964 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409103363 1066885630 /nfs/dbraw/zinc/88/56/30/1066885630.db2.gz GSMGLWCUGKFTIF-YOWYGEOISA-N 0 0 621.719 4.964 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Sc5nc(C)cc(=O)[nH]5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409103401 1066885608 /nfs/dbraw/zinc/88/56/08/1066885608.db2.gz GUUAKGDYZQECDT-CWPZDHDOSA-N 0 0 696.767 4.755 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(Sc5nc(C)cc(=O)[nH]5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 ZINC000409103408 1066885673 /nfs/dbraw/zinc/88/56/73/1066885673.db2.gz GUUAKGDYZQECDT-JGAIACPSSA-N 0 0 696.767 4.755 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409103589 1066885287 /nfs/dbraw/zinc/88/52/87/1066885287.db2.gz DLJUYGHUQRBWQO-QPJBPQEWSA-N 0 0 607.088 4.934 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409103595 1066885134 /nfs/dbraw/zinc/88/51/34/1066885134.db2.gz DLJUYGHUQRBWQO-QTTRZTASSA-N 0 0 607.088 4.934 40 5 KJBBRN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409103632 1066885292 /nfs/dbraw/zinc/88/52/92/1066885292.db2.gz CTPCGCBKARKCDF-AMXTYKKZSA-N 0 0 668.153 4.712 40 5 KJBBRN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409103636 1066885176 /nfs/dbraw/zinc/88/51/76/1066885176.db2.gz CTPCGCBKARKCDF-FVTDTAELSA-N 0 0 668.153 4.712 40 5 KJBBRN 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ZINC000409104026 1066884768 /nfs/dbraw/zinc/88/47/68/1066884768.db2.gz IFMAYHICRGGTIQ-NCKPAOEESA-N 0 0 742.630 4.832 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409104031 1066884777 /nfs/dbraw/zinc/88/47/77/1066884777.db2.gz IFMAYHICRGGTIQ-ZREQCCPOSA-N 0 0 742.630 4.832 40 5 KJBBRN COc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409104232 1066884091 /nfs/dbraw/zinc/88/40/91/1066884091.db2.gz GRPQZIAIKFQLSS-VCHYOVAHSA-N 0 0 508.418 4.536 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC ZINC000409104383 1066884099 /nfs/dbraw/zinc/88/40/99/1066884099.db2.gz YQBOWHNXGUSEMS-MRWVFDTMSA-N 0 0 642.734 4.608 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC ZINC000409104384 1066322004 /nfs/dbraw/zinc/32/20/04/1066322004.db2.gz YQBOWHNXGUSEMS-NBQDTTAVSA-N 0 0 642.734 4.608 40 5 KJBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409104563 1066883582 /nfs/dbraw/zinc/88/35/82/1066883582.db2.gz JUIVRWHMBJDNIZ-AOFXREQWSA-N 0 0 656.761 4.998 40 5 KJBBRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409104565 1066883690 /nfs/dbraw/zinc/88/36/90/1066883690.db2.gz JUIVRWHMBJDNIZ-FATJQOLTSA-N 0 0 656.761 4.998 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409104568 1066883733 /nfs/dbraw/zinc/88/37/33/1066883733.db2.gz JUKBATCCHWJQBR-CBPRFPNYSA-N 0 0 625.751 4.774 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409104570 1066883604 /nfs/dbraw/zinc/88/36/04/1066883604.db2.gz JUKBATCCHWJQBR-ZRYJBNJPSA-N 0 0 625.751 4.774 40 5 KJBBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(=O)[nH]4)c(=O)n32)cc1 ZINC000409104695 1066883769 /nfs/dbraw/zinc/88/37/69/1066883769.db2.gz HLNFXDRNZOQDFK-ARLGEPFESA-N 0 0 649.776 4.772 40 5 KJBBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(=O)[nH]4)c(=O)n32)cc1 ZINC000409104698 1066321884 /nfs/dbraw/zinc/32/18/84/1066321884.db2.gz HLNFXDRNZOQDFK-SCRHHBKZSA-N 0 0 649.776 4.772 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409104759 1066883029 /nfs/dbraw/zinc/88/30/29/1066883029.db2.gz FJBOUHKDXRWACO-KKGHXWGNSA-N 0 0 711.778 4.816 40 5 KJBBRN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(=O)[nH]3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409104761 1066883009 /nfs/dbraw/zinc/88/30/09/1066883009.db2.gz FJBOUHKDXRWACO-NLMYKXADSA-N 0 0 711.778 4.816 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409104903 1066882710 /nfs/dbraw/zinc/88/27/10/1066882710.db2.gz KXFMQSUQUONKKC-MDBUFAAASA-N 0 0 612.398 4.775 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409104904 1066321699 /nfs/dbraw/zinc/32/16/99/1066321699.db2.gz KXFMQSUQUONKKC-OTGIAGGSSA-N 0 0 612.398 4.775 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409105170 1066882706 /nfs/dbraw/zinc/88/27/06/1066882706.db2.gz JNNXHXHCPJKUGU-RGFRMHDHSA-N 0 0 586.670 4.589 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409105172 1066882615 /nfs/dbraw/zinc/88/26/15/1066882615.db2.gz JNNXHXHCPJKUGU-XQNWCSQWSA-N 0 0 586.670 4.589 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409105558 1066882018 /nfs/dbraw/zinc/88/20/18/1066882018.db2.gz LBEYZZOXUAEHHR-MDBUFAAASA-N 0 0 520.947 4.824 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409105559 1066323622 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CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409109068 1066893496 /nfs/dbraw/zinc/89/34/96/1066893496.db2.gz XJBPYCUYOFOTKY-OWXSRONMSA-N 0 0 612.718 4.785 40 5 KJBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409109069 1066893390 /nfs/dbraw/zinc/89/33/90/1066893390.db2.gz XJBPYCUYOFOTKY-ZMIGGIFCSA-N 0 0 612.718 4.785 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409111882 1066888235 /nfs/dbraw/zinc/88/82/35/1066888235.db2.gz CWIXPFQUYURQKJ-UHFFFAOYSA-N 0 0 534.388 4.508 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409112940 1066890836 /nfs/dbraw/zinc/89/08/36/1066890836.db2.gz CTOXQEINXFOKEW-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409113054 1066891473 /nfs/dbraw/zinc/89/14/73/1066891473.db2.gz GIQDXQGIAYTZBX-PLQXQRLBSA-N 0 0 682.578 4.807 40 5 KJBBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n21 ZINC000409113057 1066891549 /nfs/dbraw/zinc/89/15/49/1066891549.db2.gz GIQDXQGIAYTZBX-VVNKCDPRSA-N 0 0 682.578 4.807 40 5 KJBBRN CCc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409113768 1066890296 /nfs/dbraw/zinc/89/02/96/1066890296.db2.gz NSTXVHWTXIZYAH-UHFFFAOYSA-N 0 0 517.991 4.962 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409113901 1066890389 /nfs/dbraw/zinc/89/03/89/1066890389.db2.gz OQMBCWCMQSGWRN-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409114312 1066889896 /nfs/dbraw/zinc/88/98/96/1066889896.db2.gz GSXGEQXCJSMZMI-UHFFFAOYSA-N 0 0 523.489 4.765 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409115063 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/nfs/dbraw/zinc/89/89/21/1066898921.db2.gz ZAHXIMNWRUWPAO-OAQYLSRUSA-N 0 0 558.616 4.920 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409121213 1066897451 /nfs/dbraw/zinc/89/74/51/1066897451.db2.gz XFBXVJZDESZUCZ-MRWVFDTMSA-N 0 0 642.734 4.608 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409121216 1066897402 /nfs/dbraw/zinc/89/74/02/1066897402.db2.gz XFBXVJZDESZUCZ-NBQDTTAVSA-N 0 0 642.734 4.608 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 ZINC000409121224 1066897431 /nfs/dbraw/zinc/89/74/31/1066897431.db2.gz XIUKBPOIZRHRIN-FYJGNVAPSA-N 0 0 520.523 4.856 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409123456 1066895355 /nfs/dbraw/zinc/89/53/55/1066895355.db2.gz HCVSWAJVYCXDCG-FQEVSTJZSA-N 0 0 517.011 4.718 40 5 KJBBRN 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/nfs/dbraw/zinc/90/03/71/1066900371.db2.gz BMMBMWKOESVOPV-YBFXNURJSA-N 0 0 641.294 4.594 40 5 KJBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409126639 1066900360 /nfs/dbraw/zinc/90/03/60/1066900360.db2.gz LZIVNOBJZFOPOI-INIZCTEOSA-N 0 0 551.654 4.860 40 5 KJBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000409126640 1066900242 /nfs/dbraw/zinc/90/02/42/1066900242.db2.gz LZIVNOBJZFOPOI-MRXNPFEDSA-N 0 0 551.654 4.860 40 5 KJBBRN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409126884 1066899826 /nfs/dbraw/zinc/89/98/26/1066899826.db2.gz CIKXWJFPRVBASC-FQEVSTJZSA-N 0 0 575.489 4.961 40 5 KJBBRN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409126889 1066899862 /nfs/dbraw/zinc/89/98/62/1066899862.db2.gz CIKXWJFPRVBASC-HXUWFJFHSA-N 0 0 575.489 4.961 40 5 KJBBRN 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CCSOTSHAUAIOFF-UHFFFAOYSA-N 0 0 510.355 4.744 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000409127361 1066902807 /nfs/dbraw/zinc/90/28/07/1066902807.db2.gz QPRUAWYUPWYWFE-NRFANRHFSA-N 0 0 551.654 4.705 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000409127369 1066902730 /nfs/dbraw/zinc/90/27/30/1066902730.db2.gz QPRUAWYUPWYWFE-OAQYLSRUSA-N 0 0 551.654 4.705 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409127456 1066910841 /nfs/dbraw/zinc/91/08/41/1066910841.db2.gz HNMYWVCSTFWYEU-FQEVSTJZSA-N 0 0 608.462 4.669 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409127459 1066910917 /nfs/dbraw/zinc/91/09/17/1066910917.db2.gz HNMYWVCSTFWYEU-HXUWFJFHSA-N 0 0 608.462 4.669 40 5 KJBBRN CCc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)cc1 ZINC000409128409 1066910163 /nfs/dbraw/zinc/91/01/63/1066910163.db2.gz IHFGYTRTLYIWIR-JOCHJYFZSA-N 0 0 510.620 4.627 40 5 KJBBRN CCc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)cc1 ZINC000409128415 1066910107 /nfs/dbraw/zinc/91/01/07/1066910107.db2.gz IHFGYTRTLYIWIR-QFIPXVFZSA-N 0 0 510.620 4.627 40 5 KJBBRN COCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409128516 1066910096 /nfs/dbraw/zinc/91/00/96/1066910096.db2.gz FHJQQWUWWRHWPB-WOJGMQOQSA-N 0 0 523.361 4.628 40 5 KJBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000409128604 1066910194 /nfs/dbraw/zinc/91/01/94/1066910194.db2.gz SILCCWXNVVVZHL-UHFFFAOYSA-N 0 0 602.496 4.753 40 5 KJBBRN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409128995 1066909251 /nfs/dbraw/zinc/90/92/51/1066909251.db2.gz LNANIWMJZCMWHB-UHFFFAOYSA-N 0 0 525.572 4.944 40 5 KJBBRN Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1Cl ZINC000409129379 1066909361 /nfs/dbraw/zinc/90/93/61/1066909361.db2.gz FYKZLHCUAIKJHT-FQEVSTJZSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1Cl ZINC000409129383 1066326737 /nfs/dbraw/zinc/32/67/37/1066326737.db2.gz FYKZLHCUAIKJHT-HXUWFJFHSA-N 0 0 517.011 4.543 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409129543 1066909009 /nfs/dbraw/zinc/90/90/09/1066909009.db2.gz GWMBBLAVEMNUJP-UHFFFAOYSA-N 0 0 523.356 4.517 40 5 KJBBRN CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1CC ZINC000409130165 1066908404 /nfs/dbraw/zinc/90/84/04/1066908404.db2.gz LXLKQJGYLZFDBE-JOCHJYFZSA-N 0 0 510.620 4.627 40 5 KJBBRN CCc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1CC ZINC000409130169 1066326634 /nfs/dbraw/zinc/32/66/34/1066326634.db2.gz LXLKQJGYLZFDBE-QFIPXVFZSA-N 0 0 510.620 4.627 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409130373 1066908554 /nfs/dbraw/zinc/90/85/54/1066908554.db2.gz HGOCXZJSMBMHSF-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409130375 1066908440 /nfs/dbraw/zinc/90/84/40/1066908440.db2.gz HGOCXZJSMBMHSF-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1CC ZINC000409130683 1066908474 /nfs/dbraw/zinc/90/84/74/1066908474.db2.gz UDIWNDDKGQXPMZ-NRFANRHFSA-N 0 0 616.722 4.813 40 5 KJBBRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1CC ZINC000409130687 1066908422 /nfs/dbraw/zinc/90/84/22/1066908422.db2.gz UDIWNDDKGQXPMZ-OAQYLSRUSA-N 0 0 616.722 4.813 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409132210 1066907234 /nfs/dbraw/zinc/90/72/34/1066907234.db2.gz ZPYGRWSHSLBBEY-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409132215 1066325622 /nfs/dbraw/zinc/32/56/22/1066325622.db2.gz ZPYGRWSHSLBBEY-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409132355 1066205020 /nfs/dbraw/zinc/20/50/20/1066205020.db2.gz OBTAHASNTPAJCP-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409132358 1066907223 /nfs/dbraw/zinc/90/72/23/1066907223.db2.gz OBTAHASNTPAJCP-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409132788 1066906526 /nfs/dbraw/zinc/90/65/26/1066906526.db2.gz RKALAFBLODRJLX-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409132816 1066906905 /nfs/dbraw/zinc/90/69/05/1066906905.db2.gz KDYPIPMAJDFSFE-FQEVSTJZSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409132819 1066906788 /nfs/dbraw/zinc/90/67/88/1066906788.db2.gz KDYPIPMAJDFSFE-HXUWFJFHSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3C)n2)cc1[N+](=O)[O-] ZINC000409133035 1066906488 /nfs/dbraw/zinc/90/64/88/1066906488.db2.gz ZCDZUSSVIBICFH-JOCHJYFZSA-N 0 0 610.678 4.921 40 5 KJBBRN Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3C)n2)cc1[N+](=O)[O-] ZINC000409133040 1066906470 /nfs/dbraw/zinc/90/64/70/1066906470.db2.gz ZCDZUSSVIBICFH-QFIPXVFZSA-N 0 0 610.678 4.921 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409133200 1066906514 /nfs/dbraw/zinc/90/65/14/1066906514.db2.gz MXLHLICNMGXYRC-UHFFFAOYSA-N 0 0 513.572 4.569 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C ZINC000409133236 1066906501 /nfs/dbraw/zinc/90/65/01/1066906501.db2.gz NCRHUYXCLAGRTB-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C ZINC000409133237 1066906438 /nfs/dbraw/zinc/90/64/38/1066906438.db2.gz NCRHUYXCLAGRTB-LJQANCHMSA-N 0 0 537.429 4.888 40 5 KJBBRN COCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409134422 1066905489 /nfs/dbraw/zinc/90/54/89/1066905489.db2.gz SMJHIPZVKYHRQK-VXLYETTFSA-N 0 0 523.361 4.628 40 5 KJBBRN Cc1cc(I)cc(C)c1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409134423 1066905628 /nfs/dbraw/zinc/90/56/28/1066905628.db2.gz SMTHSIAUOOZCMB-FQEVSTJZSA-N 0 0 622.489 4.803 40 5 KJBBRN Cc1cc(I)cc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409134424 1066905576 /nfs/dbraw/zinc/90/55/76/1066905576.db2.gz SMTHSIAUOOZCMB-HXUWFJFHSA-N 0 0 622.489 4.803 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409134893 1066905186 /nfs/dbraw/zinc/90/51/86/1066905186.db2.gz QAMWNMUIEFYDNA-NRFANRHFSA-N 0 0 547.037 4.726 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409134896 1066905231 /nfs/dbraw/zinc/90/52/31/1066905231.db2.gz QAMWNMUIEFYDNA-OAQYLSRUSA-N 0 0 547.037 4.726 40 5 KJBBRN CCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409135199 1066904814 /nfs/dbraw/zinc/90/48/14/1066904814.db2.gz VPWHMLOXKFBEND-UHFFFAOYSA-N 0 0 527.599 4.571 40 5 KJBBRN CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000409135209 1066327448 /nfs/dbraw/zinc/32/74/48/1066327448.db2.gz XQEIDUBOKURABS-UHFFFAOYSA-N 0 0 531.612 4.558 40 5 KJBBRN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409135512 1066205561 /nfs/dbraw/zinc/20/55/61/1066205561.db2.gz QASYZJXPETXFNM-FQEVSTJZSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409135513 1066904714 /nfs/dbraw/zinc/90/47/14/1066904714.db2.gz QASYZJXPETXFNM-HXUWFJFHSA-N 0 0 517.011 4.543 40 5 KJBBRN CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135620 1066904313 /nfs/dbraw/zinc/90/43/13/1066904313.db2.gz RLRGQNFMJMDQPX-NRFANRHFSA-N 0 0 514.583 4.512 40 5 KJBBRN CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409135630 1066904399 /nfs/dbraw/zinc/90/43/99/1066904399.db2.gz RLRGQNFMJMDQPX-OAQYLSRUSA-N 0 0 514.583 4.512 40 5 KJBBRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409136419 1066903942 /nfs/dbraw/zinc/90/39/42/1066903942.db2.gz UNIWLDDDYCXVAT-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409136422 1066205518 /nfs/dbraw/zinc/20/55/18/1066205518.db2.gz UNIWLDDDYCXVAT-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C ZINC000409137179 1066903090 /nfs/dbraw/zinc/90/30/90/1066903090.db2.gz VNQIECBJBKRYSO-HSZRJFAPSA-N 0 0 518.599 4.734 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C ZINC000409137181 1066903221 /nfs/dbraw/zinc/90/32/21/1066903221.db2.gz VNQIECBJBKRYSO-QHCPKHFHSA-N 0 0 518.599 4.734 40 5 KJBBRN CCOC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000409137249 1066903139 /nfs/dbraw/zinc/90/31/39/1066903139.db2.gz WDIJPOIQZXOHMF-UHFFFAOYSA-N 0 0 543.623 4.546 40 5 KJBBRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)c1 ZINC000409137643 1066916808 /nfs/dbraw/zinc/91/68/08/1066916808.db2.gz XMUNQIKKQBEHMC-HSZRJFAPSA-N 0 0 568.656 4.631 40 5 KJBBRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)c1 ZINC000409137644 1066205659 /nfs/dbraw/zinc/20/56/59/1066205659.db2.gz XMUNQIKKQBEHMC-QHCPKHFHSA-N 0 0 568.656 4.631 40 5 KJBBRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409137802 1066916919 /nfs/dbraw/zinc/91/69/19/1066916919.db2.gz YXMDLYOOGZCDSO-FQEVSTJZSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409137805 1066916947 /nfs/dbraw/zinc/91/69/47/1066916947.db2.gz YXMDLYOOGZCDSO-HXUWFJFHSA-N 0 0 517.011 4.543 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138016 1066916884 /nfs/dbraw/zinc/91/68/84/1066916884.db2.gz YUKIVGDUPCRAFX-NRFANRHFSA-N 0 0 514.583 4.512 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138018 1066916818 /nfs/dbraw/zinc/91/68/18/1066916818.db2.gz YUKIVGDUPCRAFX-OAQYLSRUSA-N 0 0 514.583 4.512 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C ZINC000409138166 1066916422 /nfs/dbraw/zinc/91/64/22/1066916422.db2.gz ZFSQRZDZYBEVHG-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C ZINC000409138167 1066916567 /nfs/dbraw/zinc/91/65/67/1066916567.db2.gz ZFSQRZDZYBEVHG-LJQANCHMSA-N 0 0 537.429 4.888 40 5 KJBBRN Cc1cc(Br)ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409138526 1066915957 /nfs/dbraw/zinc/91/59/57/1066915957.db2.gz DDXNIMUJZPYIMR-FQEVSTJZSA-N 0 0 561.462 4.652 40 5 KJBBRN Cc1cc(Br)ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409138527 1066916083 /nfs/dbraw/zinc/91/60/83/1066916083.db2.gz DDXNIMUJZPYIMR-HXUWFJFHSA-N 0 0 561.462 4.652 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138556 1066916014 /nfs/dbraw/zinc/91/60/14/1066916014.db2.gz DQHBEQGNJUDGKY-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138557 1066916039 /nfs/dbraw/zinc/91/60/39/1066916039.db2.gz DQHBEQGNJUDGKY-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138699 1066205650 /nfs/dbraw/zinc/20/56/50/1066205650.db2.gz GUECVNKNMZDNRZ-NRFANRHFSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409138700 1066916030 /nfs/dbraw/zinc/91/60/30/1066916030.db2.gz GUECVNKNMZDNRZ-OAQYLSRUSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409138730 1066327805 /nfs/dbraw/zinc/32/78/05/1066327805.db2.gz HERUXBBHAVBNSC-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409138731 1066915981 /nfs/dbraw/zinc/91/59/81/1066915981.db2.gz HERUXBBHAVBNSC-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCOC(=O)c1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000409138805 1066915746 /nfs/dbraw/zinc/91/57/46/1066915746.db2.gz IFGIWRFQHHFTGK-UHFFFAOYSA-N 0 0 543.623 4.546 40 5 KJBBRN CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C ZINC000409139155 1066915599 /nfs/dbraw/zinc/91/55/99/1066915599.db2.gz ALUGJRQCHJLTHE-UHFFFAOYSA-N 0 0 608.462 4.595 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409139179 1066915576 /nfs/dbraw/zinc/91/55/76/1066915576.db2.gz AYRVQDABWRWOCR-UHFFFAOYSA-N 0 0 534.388 4.508 40 5 KJBBRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409139744 1066915197 /nfs/dbraw/zinc/91/51/97/1066915197.db2.gz DRZHTAUADOQLKR-DQARITGZSA-N 0 0 661.762 4.670 40 5 KJBBRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409139746 1066915368 /nfs/dbraw/zinc/91/53/68/1066915368.db2.gz DRZHTAUADOQLKR-YRSDHNRQSA-N 0 0 661.762 4.670 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409139762 1066915226 /nfs/dbraw/zinc/91/52/26/1066915226.db2.gz DTPJIUASBXOXHI-WPWMEQJKSA-N 0 0 604.641 4.694 40 5 KJBBRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409139795 1066914794 /nfs/dbraw/zinc/91/47/94/1066914794.db2.gz OSVFFZGHMUXVQL-HSZRJFAPSA-N 0 0 568.656 4.629 40 5 KJBBRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409139799 1066914920 /nfs/dbraw/zinc/91/49/20/1066914920.db2.gz OSVFFZGHMUXVQL-QHCPKHFHSA-N 0 0 568.656 4.629 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140555 1066914405 /nfs/dbraw/zinc/91/44/05/1066914405.db2.gz JAFQCKNRCCVZPJ-JGTYQCAFSA-N 0 0 630.517 4.575 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409140557 1066914533 /nfs/dbraw/zinc/91/45/33/1066914533.db2.gz JAFQCKNRCCVZPJ-LYRGBEMXSA-N 0 0 630.517 4.575 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C ZINC000409140832 1066914509 /nfs/dbraw/zinc/91/45/09/1066914509.db2.gz GCWBVZLHFSWCBQ-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C ZINC000409140834 1066914460 /nfs/dbraw/zinc/91/44/60/1066914460.db2.gz GCWBVZLHFSWCBQ-LJQANCHMSA-N 0 0 537.429 4.888 40 5 KJBBRN CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000409141124 1066914081 /nfs/dbraw/zinc/91/40/81/1066914081.db2.gz UGHSGGVRLOMLRM-UHFFFAOYSA-N 0 0 603.675 4.563 40 5 KJBBRN COCCN1C(=O)S/C(=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409141306 1066328082 /nfs/dbraw/zinc/32/80/82/1066328082.db2.gz HOOPTABGPNHFME-VXLYETTFSA-N 0 0 523.361 4.628 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409141668 1066913610 /nfs/dbraw/zinc/91/36/10/1066913610.db2.gz BHGWSJYAIXZBHF-VPHSIRQSSA-N 0 0 674.805 4.587 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409141676 1066913666 /nfs/dbraw/zinc/91/36/66/1066913666.db2.gz BHGWSJYAIXZBHF-YVBHXKDBSA-N 0 0 674.805 4.587 40 5 KJBBRN COCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409141977 1066913281 /nfs/dbraw/zinc/91/32/81/1066913281.db2.gz KMRULBBYYIOVIM-WOJGMQOQSA-N 0 0 523.361 4.628 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409142287 1066912973 /nfs/dbraw/zinc/91/29/73/1066912973.db2.gz XSTVJOFETVZVOK-NRFANRHFSA-N 0 0 622.489 4.977 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(I)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409142288 1066912866 /nfs/dbraw/zinc/91/28/66/1066912866.db2.gz XSTVJOFETVZVOK-OAQYLSRUSA-N 0 0 622.489 4.977 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409142500 1066912896 /nfs/dbraw/zinc/91/28/96/1066912896.db2.gz DGWBONPASFHQCJ-ASZNLBCTSA-N 0 0 644.779 4.578 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409142507 1066912874 /nfs/dbraw/zinc/91/28/74/1066912874.db2.gz DGWBONPASFHQCJ-YNMQQHPQSA-N 0 0 644.779 4.578 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142549 1066912990 /nfs/dbraw/zinc/91/29/90/1066912990.db2.gz DNOBTOFSBQGRSW-JBDHCHCMSA-N 0 0 614.636 4.502 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142558 1066912513 /nfs/dbraw/zinc/91/25/13/1066912513.db2.gz DNOBTOFSBQGRSW-PIXWUVMMSA-N 0 0 614.636 4.502 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142620 1066912423 /nfs/dbraw/zinc/91/24/23/1066912423.db2.gz BEUZEGBZTAUCQC-CCVBWGSMSA-N 0 0 645.606 4.624 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409142623 1066912461 /nfs/dbraw/zinc/91/24/61/1066912461.db2.gz BEUZEGBZTAUCQC-ZWTBYVTRSA-N 0 0 645.606 4.624 40 5 KJBBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409143209 1066329831 /nfs/dbraw/zinc/32/98/31/1066329831.db2.gz VZNNLDFMIXMWNT-CRCYZHLCSA-N 0 0 631.736 4.662 40 5 KJBBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409143213 1066911970 /nfs/dbraw/zinc/91/19/70/1066911970.db2.gz VZNNLDFMIXMWNT-FQKMCRJQSA-N 0 0 631.736 4.662 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409143344 1066912115 /nfs/dbraw/zinc/91/21/15/1066912115.db2.gz ZZMKFTHOKJFTBZ-XDHOZWIPSA-N 0 0 584.388 4.860 40 5 KJBBRN NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409143392 1066912105 /nfs/dbraw/zinc/91/21/05/1066912105.db2.gz LZQRCENYXBRCRR-GDLZYMKVSA-N 0 0 522.561 4.820 40 5 KJBBRN NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409143396 1066912192 /nfs/dbraw/zinc/91/21/92/1066912192.db2.gz LZQRCENYXBRCRR-LJAQVGFWSA-N 0 0 522.561 4.820 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143812 1066911576 /nfs/dbraw/zinc/91/15/76/1066911576.db2.gz IGDGJXHKINULJZ-AQIZGWBQSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409143813 1066911705 /nfs/dbraw/zinc/91/17/05/1066911705.db2.gz IGDGJXHKINULJZ-ZDGAQAAHSA-N 0 0 564.019 4.928 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409144087 1066911695 /nfs/dbraw/zinc/91/16/95/1066911695.db2.gz XJCTVVYICHRABP-MFKUBSTISA-N 0 0 562.604 4.983 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409144169 1066911099 /nfs/dbraw/zinc/91/10/99/1066911099.db2.gz JEBMQRMBFRMNLX-YZSQISJMSA-N 0 0 574.615 4.685 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409144266 1066911274 /nfs/dbraw/zinc/91/12/74/1066911274.db2.gz XQMUFTQXPUVMGZ-ONUIUJJFSA-N 0 0 574.615 4.685 40 5 KJBBRN CCOC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000409144529 1066911225 /nfs/dbraw/zinc/91/12/25/1066911225.db2.gz FXDZXLYZABNFKX-UHFFFAOYSA-N 0 0 543.623 4.546 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409144591 1066911200 /nfs/dbraw/zinc/91/12/00/1066911200.db2.gz LSNGZKOUWQDTND-MYYYXRDXSA-N 0 0 562.604 4.983 40 5 KJBBRN CC(C)c1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409144942 1066919215 /nfs/dbraw/zinc/91/92/15/1066919215.db2.gz OQUSMDNRWJGJSD-JOCHJYFZSA-N 0 0 510.620 4.705 40 5 KJBBRN CC(C)c1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C ZINC000409144946 1066919264 /nfs/dbraw/zinc/91/92/64/1066919264.db2.gz OQUSMDNRWJGJSD-QFIPXVFZSA-N 0 0 510.620 4.705 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C ZINC000409145000 1066919281 /nfs/dbraw/zinc/91/92/81/1066919281.db2.gz QTZBDOSYBDNWBN-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C ZINC000409145006 1066329911 /nfs/dbraw/zinc/32/99/11/1066329911.db2.gz QTZBDOSYBDNWBN-LJQANCHMSA-N 0 0 537.429 4.888 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409145220 1066918891 /nfs/dbraw/zinc/91/88/91/1066918891.db2.gz NJQSCWRLCXAHFA-NFYDWNOTSA-N 0 0 652.154 4.927 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409145224 1066918922 /nfs/dbraw/zinc/91/89/22/1066918922.db2.gz NJQSCWRLCXAHFA-ZFWDJNJRSA-N 0 0 652.154 4.927 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409145365 1066918856 /nfs/dbraw/zinc/91/88/56/1066918856.db2.gz NZBMVYGGJBCMMY-MFKUBSTISA-N 0 0 605.585 4.807 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409145380 1066918776 /nfs/dbraw/zinc/91/87/76/1066918776.db2.gz ODWZZCZVIIFCCT-YZSQISJMSA-N 0 0 574.615 4.685 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409146424 1066917917 /nfs/dbraw/zinc/91/79/17/1066917917.db2.gz STZBZVDFKGFLQH-MFKUBSTISA-N 0 0 605.585 4.807 40 5 KJBBRN Cc1cc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)ccc1Br ZINC000409146448 1066330063 /nfs/dbraw/zinc/33/00/63/1066330063.db2.gz SRDCJNXIGVDIOM-FQEVSTJZSA-N 0 0 561.462 4.652 40 5 KJBBRN Cc1cc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)ccc1Br ZINC000409146452 1066918070 /nfs/dbraw/zinc/91/80/70/1066918070.db2.gz SRDCJNXIGVDIOM-HXUWFJFHSA-N 0 0 561.462 4.652 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146545 1066917524 /nfs/dbraw/zinc/91/75/24/1066917524.db2.gz UQFJREZXAZLCJV-LCQSEVKBSA-N 0 0 569.639 4.594 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409146547 1066917606 /nfs/dbraw/zinc/91/76/06/1066917606.db2.gz TUQAPAFPCVREKY-CVKSISIWSA-N 0 0 635.611 4.816 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409146549 1066917599 /nfs/dbraw/zinc/91/75/99/1066917599.db2.gz UQFJREZXAZLCJV-UQDCTOEPSA-N 0 0 569.639 4.594 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cccc3ccccc32)n1C ZINC000409146968 1066917254 /nfs/dbraw/zinc/91/72/54/1066917254.db2.gz LXWNCPFSPAIHHQ-HSZRJFAPSA-N 0 0 518.599 4.734 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cccc3ccccc32)n1C ZINC000409146972 1066917272 /nfs/dbraw/zinc/91/72/72/1066917272.db2.gz LXWNCPFSPAIHHQ-QHCPKHFHSA-N 0 0 518.599 4.734 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409147038 1066917635 /nfs/dbraw/zinc/91/76/35/1066917635.db2.gz ULYMVRLJTFGGOK-UHFFFAOYSA-N 0 0 595.415 4.659 40 5 KJBBRN Cc1cc(Br)c(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1C ZINC000409147082 1066917474 /nfs/dbraw/zinc/91/74/74/1066917474.db2.gz VAWSBCYIRDUYJX-NRFANRHFSA-N 0 0 575.489 4.961 40 5 KJBBRN Cc1cc(Br)c(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1C ZINC000409147087 1066917249 /nfs/dbraw/zinc/91/72/49/1066917249.db2.gz VAWSBCYIRDUYJX-OAQYLSRUSA-N 0 0 575.489 4.961 40 5 KJBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409147226 1066917178 /nfs/dbraw/zinc/91/71/78/1066917178.db2.gz WZWFOOPKFGKEKG-MFKUBSTISA-N 0 0 635.611 4.816 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147299 1066919236 /nfs/dbraw/zinc/91/92/36/1066919236.db2.gz YESKPFOUVGYDCF-ITIZVALFSA-N 0 0 609.016 4.837 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409147304 1066919584 /nfs/dbraw/zinc/91/95/84/1066919584.db2.gz YESKPFOUVGYDCF-YXDQGSNCSA-N 0 0 609.016 4.837 40 5 KJBBRN CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000409147990 1066927539 /nfs/dbraw/zinc/92/75/39/1066927539.db2.gz NZIVDUMAEHVFHU-UHFFFAOYSA-N 0 0 564.414 4.599 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148069 1066927435 /nfs/dbraw/zinc/92/74/35/1066927435.db2.gz XZWIBMFGCCECQX-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000409148072 1066927604 /nfs/dbraw/zinc/92/76/04/1066927604.db2.gz XZWIBMFGCCECQX-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409148185 1066927594 /nfs/dbraw/zinc/92/75/94/1066927594.db2.gz OWZUSHKIAUABJQ-UHFFFAOYSA-N 0 0 510.355 4.744 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409148808 1066927209 /nfs/dbraw/zinc/92/72/09/1066927209.db2.gz RZKGATRGCMSRBJ-XDHOZWIPSA-N 0 0 584.388 4.860 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409149331 1066328761 /nfs/dbraw/zinc/32/87/61/1066328761.db2.gz BSFGMNFPYOYMLF-BUVRLJJBSA-N 0 0 548.577 4.675 40 5 KJBBRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409149547 1066926694 /nfs/dbraw/zinc/92/66/94/1066926694.db2.gz JOJGCJXIOVAYQS-IYVASWNSSA-N 0 0 631.736 4.662 40 5 KJBBRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 ZINC000409149548 1066926754 /nfs/dbraw/zinc/92/67/54/1066926754.db2.gz JOJGCJXIOVAYQS-ORVZPOCUSA-N 0 0 631.736 4.662 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409149688 1066926656 /nfs/dbraw/zinc/92/66/56/1066926656.db2.gz NMVLMHOGQIVPBU-GVMLUORFSA-N 0 0 633.777 4.986 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409149689 1066328971 /nfs/dbraw/zinc/32/89/71/1066328971.db2.gz NMVLMHOGQIVPBU-KMBIYUNPSA-N 0 0 633.777 4.986 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409149750 1066328681 /nfs/dbraw/zinc/32/86/81/1066328681.db2.gz PJYBPHKOCAMKCD-WPWMEQJKSA-N 0 0 604.641 4.694 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409149855 1066926319 /nfs/dbraw/zinc/92/63/19/1066926319.db2.gz SNEMPLBGOOVJST-GKTKDVHMSA-N 0 0 659.746 4.773 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)sc2=N1 ZINC000409149856 1066926280 /nfs/dbraw/zinc/92/62/80/1066926280.db2.gz SNEMPLBGOOVJST-WQNUKSJVSA-N 0 0 659.746 4.773 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409150284 1066925819 /nfs/dbraw/zinc/92/58/19/1066925819.db2.gz BERFXZVCAUVEBB-CFRMEGHHSA-N 0 0 576.587 4.604 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409150396 1066328705 /nfs/dbraw/zinc/32/87/05/1066328705.db2.gz BQHLISBWTUZZSJ-BKUYFWCQSA-N 0 0 520.523 4.774 40 5 KJBBRN Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3)n2)cc1[N+](=O)[O-] ZINC000409150862 1066925563 /nfs/dbraw/zinc/92/55/63/1066925563.db2.gz FKNUMCLAZLKPCA-NRFANRHFSA-N 0 0 596.651 4.911 40 5 KJBBRN Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3)n2)cc1[N+](=O)[O-] ZINC000409150866 1066925536 /nfs/dbraw/zinc/92/55/36/1066925536.db2.gz FKNUMCLAZLKPCA-OAQYLSRUSA-N 0 0 596.651 4.911 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409150873 1066925451 /nfs/dbraw/zinc/92/54/51/1066925451.db2.gz FHFONSCXPFQVDC-NHDPSOOVSA-N 0 0 598.977 4.906 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409151001 1066925516 /nfs/dbraw/zinc/92/55/16/1066925516.db2.gz FLSYABIYHGDFJX-CIAFOILYSA-N 0 0 520.523 4.774 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409151056 1066924983 /nfs/dbraw/zinc/92/49/83/1066924983.db2.gz GIUQNOBSZAITQP-CFRMEGHHSA-N 0 0 576.587 4.604 40 5 KJBBRN Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409151057 1066925134 /nfs/dbraw/zinc/92/51/34/1066925134.db2.gz GBOXCFPKZCVLGI-IBGZPJMESA-N 0 0 502.984 4.533 40 5 KJBBRN Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409151059 1066925166 /nfs/dbraw/zinc/92/51/66/1066925166.db2.gz GBOXCFPKZCVLGI-LJQANCHMSA-N 0 0 502.984 4.533 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409151160 1066925066 /nfs/dbraw/zinc/92/50/66/1066925066.db2.gz GWOQPOFBXVCNRS-CFRMEGHHSA-N 0 0 597.627 4.663 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409151252 1066924975 /nfs/dbraw/zinc/92/49/75/1066924975.db2.gz FUGMCXJUHXGGLP-BRJLIKDPSA-N 0 0 577.571 4.976 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409151504 1066924694 /nfs/dbraw/zinc/92/46/94/1066924694.db2.gz BQGHYFPYLJWUPO-XKZIYDEJSA-N 0 0 615.667 4.768 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409151626 1066329336 /nfs/dbraw/zinc/32/93/36/1066329336.db2.gz CQJMWNHCGYYQID-AWQFTUOYSA-N 0 0 527.898 4.912 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409151686 1066924587 /nfs/dbraw/zinc/92/45/87/1066924587.db2.gz HSXZNCCSBLNLAD-NDENLUEZSA-N 0 0 540.941 4.501 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000409152050 1066924331 /nfs/dbraw/zinc/92/43/31/1066924331.db2.gz JIEFAZLZBITBTP-CRCYZHLCSA-N 0 0 573.627 4.592 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000409152054 1066924336 /nfs/dbraw/zinc/92/43/36/1066924336.db2.gz JIEFAZLZBITBTP-FQKMCRJQSA-N 0 0 573.627 4.592 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000409152064 1066924272 /nfs/dbraw/zinc/92/42/72/1066924272.db2.gz IVNINUYKJWTZPU-GOSISDBHSA-N 0 0 523.402 4.878 40 5 KJBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000409152067 1066330229 /nfs/dbraw/zinc/33/02/29/1066330229.db2.gz IVNINUYKJWTZPU-SFHVURJKSA-N 0 0 523.402 4.878 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409152160 1066924305 /nfs/dbraw/zinc/92/43/05/1066924305.db2.gz AKWFCDANVOFJSY-WSDLNYQXSA-N 0 0 550.505 4.979 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000409152570 1066924062 /nfs/dbraw/zinc/92/40/62/1066924062.db2.gz JKPHWXJWJVMPCA-WSDLNYQXSA-N 0 0 550.505 4.979 40 5 KJBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409152733 1066923946 /nfs/dbraw/zinc/92/39/46/1066923946.db2.gz GCKKDYJXPREUCZ-RGVLZGJSSA-N 0 0 547.973 4.889 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(F)cc1 ZINC000409153182 1066923537 /nfs/dbraw/zinc/92/35/37/1066923537.db2.gz LBLZXVFEFUOGKG-LPYMAVHISA-N 0 0 507.499 4.988 40 5 KJBBRN Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409153641 1066923202 /nfs/dbraw/zinc/92/32/02/1066923202.db2.gz DPPVCJFITDRGJU-UHFFFAOYSA-N 0 0 510.313 4.597 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000409153736 1066330934 /nfs/dbraw/zinc/33/09/34/1066330934.db2.gz MKKAZBPWTDDVPH-GOSISDBHSA-N 0 0 523.402 4.878 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000409153739 1066923015 /nfs/dbraw/zinc/92/30/15/1066923015.db2.gz MKKAZBPWTDDVPH-SFHVURJKSA-N 0 0 523.402 4.878 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409153840 1066922768 /nfs/dbraw/zinc/92/27/68/1066922768.db2.gz NRUMHQKMMCAYOH-BKUYFWCQSA-N 0 0 604.018 4.700 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409153947 1066922758 /nfs/dbraw/zinc/92/27/58/1066922758.db2.gz OCOSZQPPLHMCSK-HMAPJEAMSA-N 0 0 597.627 4.663 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 ZINC000409154101 1066922842 /nfs/dbraw/zinc/92/28/42/1066922842.db2.gz JTTVNBYSKRAYLC-UNOMPAQXSA-N 0 0 527.356 4.823 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Cl ZINC000409154210 1066922694 /nfs/dbraw/zinc/92/26/94/1066922694.db2.gz KASPRZNYXCOESL-RGVLZGJSSA-N 0 0 541.925 4.970 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409154587 1066922438 /nfs/dbraw/zinc/92/24/38/1066922438.db2.gz PCUKSRJHJGCWAN-MTJSOVHGSA-N 0 0 604.018 4.700 40 5 KJBBRN Cc1cc(Br)c(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1C ZINC000409154773 1066922424 /nfs/dbraw/zinc/92/24/24/1066922424.db2.gz OZULIAZRRNKJIT-FQEVSTJZSA-N 0 0 561.462 4.950 40 5 KJBBRN Cc1cc(Br)c(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1C ZINC000409154781 1066330794 /nfs/dbraw/zinc/33/07/94/1066330794.db2.gz OZULIAZRRNKJIT-HXUWFJFHSA-N 0 0 561.462 4.950 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000409154799 1066922456 /nfs/dbraw/zinc/92/24/56/1066922456.db2.gz ONHJUEGNYRZULI-QPJBPQEWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000409154805 1066922490 /nfs/dbraw/zinc/92/24/90/1066922490.db2.gz ONHJUEGNYRZULI-QTTRZTASSA-N 0 0 573.627 4.674 40 5 KJBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Cl ZINC000409154941 1066922032 /nfs/dbraw/zinc/92/20/32/1066922032.db2.gz HVAYUGMYNLEMLY-IUXPMGMMSA-N 0 0 524.338 4.753 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409155062 1066921954 /nfs/dbraw/zinc/92/19/54/1066921954.db2.gz LJDBGFSSCUZMGA-CFRMEGHHSA-N 0 0 597.627 4.663 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409155063 1066922084 /nfs/dbraw/zinc/92/20/84/1066922084.db2.gz LKBYZEVILKKBID-LPYMAVHISA-N 0 0 523.523 4.937 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409155144 1066921983 /nfs/dbraw/zinc/92/19/83/1066921983.db2.gz CDSOQUSQRCAQLK-NUGSKGIGSA-N 0 0 594.514 4.708 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409155146 1066330752 /nfs/dbraw/zinc/33/07/52/1066330752.db2.gz CEDUWJJSLBJBGP-JJFYIABZSA-N 0 0 588.019 4.999 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cccc3ccccc32)n[nH]1 ZINC000409155164 1066922072 /nfs/dbraw/zinc/92/20/72/1066922072.db2.gz PZSVZXMVKSKFGM-JOCHJYFZSA-N 0 0 504.572 4.724 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cccc3ccccc32)n[nH]1 ZINC000409155165 1066921962 /nfs/dbraw/zinc/92/19/62/1066921962.db2.gz PZSVZXMVKSKFGM-QFIPXVFZSA-N 0 0 504.572 4.724 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc3ccccc3c2)n[nH]1 ZINC000409155253 1066921990 /nfs/dbraw/zinc/92/19/90/1066921990.db2.gz QMDFSERUNQJAAF-JOCHJYFZSA-N 0 0 504.572 4.724 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc3ccccc3c2)n[nH]1 ZINC000409155254 1066921931 /nfs/dbraw/zinc/92/19/31/1066921931.db2.gz QMDFSERUNQJAAF-QFIPXVFZSA-N 0 0 504.572 4.724 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409155475 1066921191 /nfs/dbraw/zinc/92/11/91/1066921191.db2.gz RHOJARRCPMXLOZ-AWQFTUOYSA-N 0 0 527.898 4.912 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409155647 1066921218 /nfs/dbraw/zinc/92/12/18/1066921218.db2.gz MCWBMWPQNFREQQ-LSFURLLWSA-N 0 0 564.488 4.699 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409155958 1066920770 /nfs/dbraw/zinc/92/07/70/1066920770.db2.gz JLIDLQYGVQRDQG-KSEXSDGBSA-N 0 0 597.005 4.949 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409156485 1066920060 /nfs/dbraw/zinc/92/00/60/1066920060.db2.gz GAMZILFUSPEAHX-BKUYFWCQSA-N 0 0 520.523 4.774 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000409156736 1066919980 /nfs/dbraw/zinc/91/99/80/1066919980.db2.gz SZVHOJMFWCZTEF-FQEVSTJZSA-N 0 0 537.627 4.694 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n[nH]1 ZINC000409156743 1066920097 /nfs/dbraw/zinc/92/00/97/1066920097.db2.gz SZVHOJMFWCZTEF-HXUWFJFHSA-N 0 0 537.627 4.694 40 5 KJBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O ZINC000409156779 1066919965 /nfs/dbraw/zinc/91/99/65/1066919965.db2.gz LZYANJOSLSBYRH-QRVIBDJDSA-N 0 0 567.601 4.654 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409157001 1066920012 /nfs/dbraw/zinc/92/00/12/1066920012.db2.gz HNFXJHULCDDPDZ-YVNNLAQVSA-N 0 0 521.507 4.875 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409157045 1066919516 /nfs/dbraw/zinc/91/95/16/1066919516.db2.gz VEEGFQSGVLSIDB-CFRMEGHHSA-N 0 0 597.627 4.663 40 5 KJBBRN Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409157046 1066919544 /nfs/dbraw/zinc/91/95/44/1066919544.db2.gz TZWQELFTJPHUEI-IBGZPJMESA-N 0 0 547.435 4.642 40 5 KJBBRN Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409157052 1066919591 /nfs/dbraw/zinc/91/95/91/1066919591.db2.gz TZWQELFTJPHUEI-LJQANCHMSA-N 0 0 547.435 4.642 40 5 KJBBRN Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1Cl ZINC000409157164 1066919531 /nfs/dbraw/zinc/91/95/31/1066919531.db2.gz PDSLRHXHZYPIIB-IBGZPJMESA-N 0 0 502.984 4.533 40 5 KJBBRN Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1Cl ZINC000409157166 1066919693 /nfs/dbraw/zinc/91/96/93/1066919693.db2.gz PDSLRHXHZYPIIB-LJQANCHMSA-N 0 0 502.984 4.533 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409157242 1066919555 /nfs/dbraw/zinc/91/95/55/1066919555.db2.gz VARSMTGSMSLKRT-UCQKPKSFSA-N 0 0 597.627 4.663 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409157401 1066935927 /nfs/dbraw/zinc/93/59/27/1066935927.db2.gz VIOQJVRBCULNSY-FOKLQQMPSA-N 0 0 533.518 4.578 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 ZINC000409157469 1066331233 /nfs/dbraw/zinc/33/12/33/1066331233.db2.gz VTVHHAACACRWRC-FQEVSTJZSA-N 0 0 582.624 4.603 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 ZINC000409157472 1066935680 /nfs/dbraw/zinc/93/56/80/1066935680.db2.gz VTVHHAACACRWRC-HXUWFJFHSA-N 0 0 582.624 4.603 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409157695 1066935657 /nfs/dbraw/zinc/93/56/57/1066935657.db2.gz VOCXBWLIQIOUCX-CFRMEGHHSA-N 0 0 611.654 4.971 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409157908 1066935320 /nfs/dbraw/zinc/93/53/20/1066935320.db2.gz QOBDQTLYFWEPTK-MXAYSNPKSA-N 0 0 611.654 4.971 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCO2 ZINC000409158125 1066935284 /nfs/dbraw/zinc/93/52/84/1066935284.db2.gz WOQSXLPUJJDNRG-LSFURLLWSA-N 0 0 564.488 4.699 40 5 KJBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409158155 1066935275 /nfs/dbraw/zinc/93/52/75/1066935275.db2.gz XTJBJEBJDNVSHW-YBFXNURJSA-N 0 0 517.947 4.880 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409158325 1066934891 /nfs/dbraw/zinc/93/48/91/1066934891.db2.gz SMUMHAVTLNYLKO-ZVHZXABRSA-N 0 0 549.561 4.866 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409158331 1066934875 /nfs/dbraw/zinc/93/48/75/1066934875.db2.gz SMYUPBGHAPBEOZ-BRJLIKDPSA-N 0 0 577.571 4.976 40 5 KJBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409158675 1066330385 /nfs/dbraw/zinc/33/03/85/1066330385.db2.gz SATUNWVEYHNMEB-IUXPMGMMSA-N 0 0 524.338 4.753 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409159175 1066934558 /nfs/dbraw/zinc/93/45/58/1066934558.db2.gz VDQWWAWAFIYMDB-UCQKPKSFSA-N 0 0 519.535 4.857 40 5 KJBBRN Cc1cc(I)cc(C)c1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409159334 1066934073 /nfs/dbraw/zinc/93/40/73/1066934073.db2.gz SWSCATOIRLSRHI-IBGZPJMESA-N 0 0 608.462 4.792 40 5 KJBBRN Cc1cc(I)cc(C)c1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409159335 1066934203 /nfs/dbraw/zinc/93/42/03/1066934203.db2.gz SWSCATOIRLSRHI-LJQANCHMSA-N 0 0 608.462 4.792 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409159363 1066933867 /nfs/dbraw/zinc/93/38/67/1066933867.db2.gz ZLAHYTQHPMFBNS-BKUYFWCQSA-N 0 0 520.523 4.774 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c1 ZINC000409159433 1066933901 /nfs/dbraw/zinc/93/39/01/1066933901.db2.gz ZWAIVJRIBWVCSL-QRVIBDJDSA-N 0 0 567.601 4.654 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409159579 1066933742 /nfs/dbraw/zinc/93/37/42/1066933742.db2.gz RDPWVGZQTWACKL-MXAYSNPKSA-N 0 0 590.614 4.913 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409159670 1066933749 /nfs/dbraw/zinc/93/37/49/1066933749.db2.gz WDSLSPCSVPBUHP-BHGWPJFGSA-N 0 0 563.544 4.586 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000409159764 1066933717 /nfs/dbraw/zinc/93/37/17/1066933717.db2.gz XDVLDSNMHDIARP-GOSISDBHSA-N 0 0 523.402 4.878 40 5 KJBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000409159765 1066330433 /nfs/dbraw/zinc/33/04/33/1066330433.db2.gz XDVLDSNMHDIARP-SFHVURJKSA-N 0 0 523.402 4.878 40 5 KJBBRN Cc1cc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)ccc1Br ZINC000409160454 1066933151 /nfs/dbraw/zinc/93/31/51/1066933151.db2.gz YPGQSZBOJBXYNW-IBGZPJMESA-N 0 0 547.435 4.642 40 5 KJBBRN Cc1cc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)ccc1Br ZINC000409160457 1066933079 /nfs/dbraw/zinc/93/30/79/1066933079.db2.gz YPGQSZBOJBXYNW-LJQANCHMSA-N 0 0 547.435 4.642 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409160632 1066933030 /nfs/dbraw/zinc/93/30/30/1066933030.db2.gz VCJVJRXSOHBXRE-MYKKPKGFSA-N 0 0 676.081 4.795 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000409161211 1066932653 /nfs/dbraw/zinc/93/26/53/1066932653.db2.gz ZKNFRFOIVLBECJ-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409161475 1066932236 /nfs/dbraw/zinc/93/22/36/1066932236.db2.gz XTUXNSQORRXVDP-KSEXSDGBSA-N 0 0 533.518 4.578 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409161719 1066932061 /nfs/dbraw/zinc/93/20/61/1066932061.db2.gz AMUWNBFAONEAAJ-QFEZKATASA-N 0 0 606.613 4.695 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409162118 1066932046 /nfs/dbraw/zinc/93/20/46/1066932046.db2.gz RSTBCXNJOWNZEE-JBDHCHCMSA-N 0 0 661.762 4.672 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409162120 1066932052 /nfs/dbraw/zinc/93/20/52/1066932052.db2.gz RSTBCXNJOWNZEE-PIXWUVMMSA-N 0 0 661.762 4.672 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000409162198 1066931759 /nfs/dbraw/zinc/93/17/59/1066931759.db2.gz SZYFEBDQPUEOGY-MFKUBSTISA-N 0 0 605.585 4.807 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000409162224 1066931772 /nfs/dbraw/zinc/93/17/72/1066931772.db2.gz YQTZTPNQNFUSTM-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409162491 1066931234 /nfs/dbraw/zinc/93/12/34/1066931234.db2.gz FLOMYSTZODZWGH-UUYOSTAYSA-N 0 0 588.019 4.999 40 5 KJBBRN COc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000409162548 1066931734 /nfs/dbraw/zinc/93/17/34/1066931734.db2.gz FTBNXZFJYZDVPK-IBGZPJMESA-N 0 0 553.428 4.886 40 5 KJBBRN COc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)c([N+](=O)[O-])c1 ZINC000409162549 1066931623 /nfs/dbraw/zinc/93/16/23/1066931623.db2.gz FTBNXZFJYZDVPK-LJQANCHMSA-N 0 0 553.428 4.886 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409162926 1066930952 /nfs/dbraw/zinc/93/09/52/1066930952.db2.gz JQAQAIIBSQNBNT-CFRMEGHHSA-N 0 0 576.587 4.604 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1 ZINC000409162955 1066206169 /nfs/dbraw/zinc/20/61/69/1066206169.db2.gz JYTXREATHHPPCH-GOSISDBHSA-N 0 0 523.402 4.878 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1 ZINC000409162956 1066931306 /nfs/dbraw/zinc/93/13/06/1066931306.db2.gz JYTXREATHHPPCH-SFHVURJKSA-N 0 0 523.402 4.878 40 5 KJBBRN Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409163334 1066930552 /nfs/dbraw/zinc/93/05/52/1066930552.db2.gz PVXJOOWYIZKNBZ-IBGZPJMESA-N 0 0 502.984 4.533 40 5 KJBBRN Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409163335 1066930688 /nfs/dbraw/zinc/93/06/88/1066930688.db2.gz PVXJOOWYIZKNBZ-LJQANCHMSA-N 0 0 502.984 4.533 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409163497 1066930511 /nfs/dbraw/zinc/93/05/11/1066930511.db2.gz SJRMOYDOZNEEBW-CFRMEGHHSA-N 0 0 590.614 4.913 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl ZINC000409163546 1066930496 /nfs/dbraw/zinc/93/04/96/1066930496.db2.gz TXSFAHSKJXFIKP-MYKKPKGFSA-N 0 0 655.041 4.736 40 5 KJBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)ccc1Cl ZINC000409163625 1066930606 /nfs/dbraw/zinc/93/06/06/1066930606.db2.gz VFZRNAYDTCLMGE-UCQKPKSFSA-N 0 0 603.053 4.717 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409163844 1066930241 /nfs/dbraw/zinc/93/02/41/1066930241.db2.gz YPCYIMUAIRYYGV-FOKLQQMPSA-N 0 0 533.518 4.578 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409163930 1066930143 /nfs/dbraw/zinc/93/01/43/1066930143.db2.gz ZWARTFIJNNAJSZ-ZVHZXABRSA-N 0 0 549.561 4.866 40 5 KJBBRN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409164115 1066929863 /nfs/dbraw/zinc/92/98/63/1066929863.db2.gz COJRGKDOQWVZFD-LSFURLLWSA-N 0 0 594.514 4.708 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl ZINC000409164189 1066929785 /nfs/dbraw/zinc/92/97/85/1066929785.db2.gz DTLNXICRTLAOMN-KSEXSDGBSA-N 0 0 646.055 4.786 40 5 KJBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409164219 1066331880 /nfs/dbraw/zinc/33/18/80/1066331880.db2.gz FCHLFTGKOFFVCM-BKUYFWCQSA-N 0 0 554.968 4.891 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)ccc1Cl ZINC000409164225 1066929733 /nfs/dbraw/zinc/92/97/33/1066929733.db2.gz FFLSFZLJYUEHSD-SRZZPIQSSA-N 0 0 571.951 4.978 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409164512 1066929492 /nfs/dbraw/zinc/92/94/92/1066929492.db2.gz JNQMFDRXMIRVLF-LSFURLLWSA-N 0 0 564.488 4.699 40 5 KJBBRN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409164552 1066929410 /nfs/dbraw/zinc/92/94/10/1066929410.db2.gz KDIKTJFLLYQEDN-QPJBPQEWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 ZINC000409164553 1066929527 /nfs/dbraw/zinc/92/95/27/1066929527.db2.gz KDIKTJFLLYQEDN-QTTRZTASSA-N 0 0 573.627 4.674 40 5 KJBBRN Cc1cc(Br)cc(C)c1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409165166 1066331668 /nfs/dbraw/zinc/33/16/68/1066331668.db2.gz UDXRHNOHCMPJAX-IBGZPJMESA-N 0 0 561.462 4.950 40 5 KJBBRN Cc1cc(Br)cc(C)c1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409165167 1066331917 /nfs/dbraw/zinc/33/19/17/1066331917.db2.gz UDXRHNOHCMPJAX-LJQANCHMSA-N 0 0 561.462 4.950 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)cc1[N+](=O)[O-] ZINC000409165174 1066929105 /nfs/dbraw/zinc/92/91/05/1066929105.db2.gz UHHRJDFPRORNAC-UFFVCSGVSA-N 0 0 507.480 4.567 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409165190 1066929093 /nfs/dbraw/zinc/92/90/93/1066929093.db2.gz UMPJDPSLMOKNEM-OYKKKHCWSA-N 0 0 597.627 4.745 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)c(Br)c2)n[nH]1 ZINC000409165314 1066929113 /nfs/dbraw/zinc/92/91/13/1066929113.db2.gz WFAJVYDDGIJKQN-GOSISDBHSA-N 0 0 567.853 4.987 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)c(Br)c2)n[nH]1 ZINC000409165315 1066928947 /nfs/dbraw/zinc/92/89/47/1066928947.db2.gz WFAJVYDDGIJKQN-SFHVURJKSA-N 0 0 567.853 4.987 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409165356 1066928678 /nfs/dbraw/zinc/92/86/78/1066928678.db2.gz XAROTIWADDSCHD-RGVLZGJSSA-N 0 0 541.925 4.970 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409165511 1066928698 /nfs/dbraw/zinc/92/86/98/1066928698.db2.gz YWJCGDNMTXUUIJ-BRJLIKDPSA-N 0 0 577.571 4.976 40 5 KJBBRN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409165630 1066331897 /nfs/dbraw/zinc/33/18/97/1066331897.db2.gz AKDSACJMSDSUMG-QPJBPQEWSA-N 0 0 573.627 4.674 40 5 KJBBRN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 ZINC000409165633 1066928310 /nfs/dbraw/zinc/92/83/10/1066928310.db2.gz AKDSACJMSDSUMG-QTTRZTASSA-N 0 0 573.627 4.674 40 5 KJBBRN CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1=S ZINC000409165853 1066928387 /nfs/dbraw/zinc/92/83/87/1066928387.db2.gz AWFKNJOCHJFYCA-UHFFFAOYSA-N 0 0 551.654 4.651 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409166120 1066928368 /nfs/dbraw/zinc/92/83/68/1066928368.db2.gz CJVHHMDTQLMXNE-FSJBWODESA-N 0 0 580.531 4.988 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409166157 1066928377 /nfs/dbraw/zinc/92/83/77/1066928377.db2.gz CNIPOPMXVNYPNC-BKUYFWCQSA-N 0 0 648.469 4.809 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409166265 1066936692 /nfs/dbraw/zinc/93/66/92/1066936692.db2.gz CKQWETYTBZTAGH-FMCGGJTJSA-N 0 0 597.005 4.949 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409166347 1066937010 /nfs/dbraw/zinc/93/70/10/1066937010.db2.gz DFGWKXKBXFXJKT-NDENLUEZSA-N 0 0 524.486 4.605 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409167180 1066936036 /nfs/dbraw/zinc/93/60/36/1066936036.db2.gz HQMHPUAKRQVQPO-CIAFOILYSA-N 0 0 509.496 4.547 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1C ZINC000409167569 1066945085 /nfs/dbraw/zinc/94/50/85/1066945085.db2.gz JFBYONGBWLFHLW-CFRMEGHHSA-N 0 0 581.628 4.963 40 5 KJBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)ccc1Cl ZINC000409167627 1066945600 /nfs/dbraw/zinc/94/56/00/1066945600.db2.gz JABVRDKKMWIRJT-RGVLZGJSSA-N 0 0 547.973 4.889 40 5 KJBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl ZINC000409167952 1066945050 /nfs/dbraw/zinc/94/50/50/1066945050.db2.gz KDJXDKACCSZFPR-QRVIBDJDSA-N 0 0 676.081 4.876 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 ZINC000409168169 1066944771 /nfs/dbraw/zinc/94/47/71/1066944771.db2.gz LBOJZXGBPXXEIP-CIAFOILYSA-N 0 0 509.496 4.547 40 5 KJBBRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168395 1066332834 /nfs/dbraw/zinc/33/28/34/1066332834.db2.gz QXLYDGHFUYJIPB-GOSISDBHSA-N 0 0 589.070 4.928 40 5 KJBBRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168399 1066944722 /nfs/dbraw/zinc/94/47/22/1066944722.db2.gz QXLYDGHFUYJIPB-SFHVURJKSA-N 0 0 589.070 4.928 40 5 KJBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl ZINC000409168411 1066944370 /nfs/dbraw/zinc/94/43/70/1066944370.db2.gz MEVWQRGNZWLPFC-YBFXNURJSA-N 0 0 517.947 4.880 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000409168439 1066333023 /nfs/dbraw/zinc/33/30/23/1066333023.db2.gz MLKHEVRMZQZVQW-GOSISDBHSA-N 0 0 523.402 4.878 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000409168441 1066332790 /nfs/dbraw/zinc/33/27/90/1066332790.db2.gz MLKHEVRMZQZVQW-SFHVURJKSA-N 0 0 523.402 4.878 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409168895 1066944007 /nfs/dbraw/zinc/94/40/07/1066944007.db2.gz UYUNEECDOJUISG-UHFFFAOYSA-N 0 0 575.043 4.537 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409169044 1066943892 /nfs/dbraw/zinc/94/38/92/1066943892.db2.gz OKBNPNSQMNWMHH-QRVIBDJDSA-N 0 0 567.601 4.654 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)ccc1Cl ZINC000409169433 1066943498 /nfs/dbraw/zinc/94/34/98/1066943498.db2.gz QSHCPLGJADSXFH-UFFVCSGVSA-N 0 0 598.977 4.906 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000409169464 1066943434 /nfs/dbraw/zinc/94/34/34/1066943434.db2.gz PWLSSQSLKHJONR-AWQFTUOYSA-N 0 0 527.898 4.912 40 5 KJBBRN Nn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1Cl ZINC000409169493 1066943463 /nfs/dbraw/zinc/94/34/63/1066943463.db2.gz RDJNZDVBZYHLGU-UHFFFAOYSA-N 0 0 522.399 4.728 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409169954 1066943040 /nfs/dbraw/zinc/94/30/40/1066943040.db2.gz TXIMLLCAGFHVQS-RGVLZGJSSA-N 0 0 541.925 4.970 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409170200 1066942577 /nfs/dbraw/zinc/94/25/77/1066942577.db2.gz UQNDYXKAVQCVHF-QFEZKATASA-N 0 0 627.653 4.753 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000409170368 1066942705 /nfs/dbraw/zinc/94/27/05/1066942705.db2.gz UPOAVOLOOHTUHU-WSDLNYQXSA-N 0 0 580.531 4.988 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000409170565 1066942571 /nfs/dbraw/zinc/94/25/71/1066942571.db2.gz VMQWMCVNOMPGRG-CRCYZHLCSA-N 0 0 573.627 4.592 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000409170568 1066942615 /nfs/dbraw/zinc/94/26/15/1066942615.db2.gz VMQWMCVNOMPGRG-FQKMCRJQSA-N 0 0 573.627 4.592 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409170697 1066942204 /nfs/dbraw/zinc/94/22/04/1066942204.db2.gz WSVVMDFYHJCEHD-WSDLNYQXSA-N 0 0 550.505 4.979 40 5 KJBBRN Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409170788 1066942274 /nfs/dbraw/zinc/94/22/74/1066942274.db2.gz XTEKVEQQRVIVDW-IBGZPJMESA-N 0 0 502.984 4.533 40 5 KJBBRN Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 ZINC000409170791 1066942254 /nfs/dbraw/zinc/94/22/54/1066942254.db2.gz XTEKVEQQRVIVDW-LJQANCHMSA-N 0 0 502.984 4.533 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409170955 1066942306 /nfs/dbraw/zinc/94/23/06/1066942306.db2.gz YJHIZUPHELGHLX-HMAPJEAMSA-N 0 0 550.549 4.864 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409171033 1066941858 /nfs/dbraw/zinc/94/18/58/1066941858.db2.gz YRBLUTLWJIPGEK-QRVIBDJDSA-N 0 0 581.628 4.963 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409171445 1066941945 /nfs/dbraw/zinc/94/19/45/1066941945.db2.gz BMJJYRHGTPADFJ-UHFFFAOYSA-N 0 0 613.048 4.922 40 5 KJBBRN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409171540 1066941792 /nfs/dbraw/zinc/94/17/92/1066941792.db2.gz DENUFXNPNBVPJU-YBFXNURJSA-N 0 0 517.947 4.880 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409171919 1066941152 /nfs/dbraw/zinc/94/11/52/1066941152.db2.gz DOCXHIWXPWPXHS-UCQKPKSFSA-N 0 0 597.627 4.663 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409171922 1066941198 /nfs/dbraw/zinc/94/11/98/1066941198.db2.gz DQNQCIYTRMBZGJ-UHFFFAOYSA-N 0 0 556.106 4.943 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409171964 1066941142 /nfs/dbraw/zinc/94/11/42/1066941142.db2.gz FPEVZUOCYMLYEL-UHFFFAOYSA-N 0 0 543.282 4.833 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409172002 1066941594 /nfs/dbraw/zinc/94/15/94/1066941594.db2.gz ANJLHTNSFPMCID-LSHDLFTRSA-N 0 0 521.507 4.875 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 ZINC000409172307 1066941131 /nfs/dbraw/zinc/94/11/31/1066941131.db2.gz CARXMOGGZNFNKO-GOSISDBHSA-N 0 0 523.402 4.878 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 ZINC000409172308 1066333332 /nfs/dbraw/zinc/33/33/32/1066333332.db2.gz CARXMOGGZNFNKO-SFHVURJKSA-N 0 0 523.402 4.878 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409172423 1066941223 /nfs/dbraw/zinc/94/12/23/1066941223.db2.gz HSPMNZSAYVYGPC-MXAYSNPKSA-N 0 0 611.654 4.971 40 5 KJBBRN CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000409172568 1066940791 /nfs/dbraw/zinc/94/07/91/1066940791.db2.gz KVFVGZVOQWEMBV-CXUHLZMHSA-N 0 0 525.153 4.611 40 5 KJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC(=O)c2ccccc2)cc1 ZINC000409172927 1066940397 /nfs/dbraw/zinc/94/03/97/1066940397.db2.gz JKUJISZSFPRUGJ-UHFFFAOYSA-N 0 0 545.525 4.687 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 ZINC000409173011 1066333233 /nfs/dbraw/zinc/33/32/33/1066333233.db2.gz HDOOWJIMIVWELF-GOSISDBHSA-N 0 0 523.402 4.878 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409173064 1066333517 /nfs/dbraw/zinc/33/35/17/1066333517.db2.gz LKISUHXJWZMMQD-UHFFFAOYSA-N 0 0 587.054 4.635 40 5 KJBBRN CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 ZINC000409173174 1066940300 /nfs/dbraw/zinc/94/03/00/1066940300.db2.gz HDOOWJIMIVWELF-SFHVURJKSA-N 0 0 523.402 4.878 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409173895 1066939892 /nfs/dbraw/zinc/93/98/92/1066939892.db2.gz LAGIZOPVXWKJGZ-JOCHJYFZSA-N 0 0 510.620 4.681 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409173896 1066939974 /nfs/dbraw/zinc/93/99/74/1066939974.db2.gz LAGIZOPVXWKJGZ-QFIPXVFZSA-N 0 0 510.620 4.681 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl ZINC000409174165 1066333171 /nfs/dbraw/zinc/33/31/71/1066333171.db2.gz SPMFMVSDWKJBTG-SRZZPIQSSA-N 0 0 571.951 4.978 40 5 KJBBRN CC[C@H](OC(=O)c1cc(Cl)c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC)C(=O)c1ccccc1 ZINC000409174284 1066939375 /nfs/dbraw/zinc/93/93/75/1066939375.db2.gz QSUKYSBWOZZYQE-FQEVSTJZSA-N 0 0 522.897 4.876 40 5 KJBBRN CC[C@@H](OC(=O)c1cc(Cl)c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC)C(=O)c1ccccc1 ZINC000409174285 1066939544 /nfs/dbraw/zinc/93/95/44/1066939544.db2.gz QSUKYSBWOZZYQE-HXUWFJFHSA-N 0 0 522.897 4.876 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409174746 1066938986 /nfs/dbraw/zinc/93/89/86/1066938986.db2.gz OMDIKYJACSNWJR-BHGWPJFGSA-N 0 0 563.544 4.586 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174876 1066333869 /nfs/dbraw/zinc/33/38/69/1066333869.db2.gz UWRVGGKJXMIBDF-UHFFFAOYSA-N 0 0 522.023 4.767 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174961 1066939031 /nfs/dbraw/zinc/93/90/31/1066939031.db2.gz WVTVDDQTDQXMAD-UHFFFAOYSA-N 0 0 589.070 4.785 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409175030 1066938661 /nfs/dbraw/zinc/93/86/61/1066938661.db2.gz YFQKHRJPMUETNX-UHFFFAOYSA-N 0 0 510.012 4.600 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409175122 1066938559 /nfs/dbraw/zinc/93/85/59/1066938559.db2.gz QFYOPQPNWAWIJF-RGVLZGJSSA-N 0 0 524.486 4.605 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 ZINC000409175215 1066206192 /nfs/dbraw/zinc/20/61/92/1066206192.db2.gz XUSMPDKYDRMJOF-UDWIEESQSA-N 0 0 541.383 4.882 40 5 KJBBRN Cc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-n2nc3ccccc3n2)c1 ZINC000409175318 1066938126 /nfs/dbraw/zinc/93/81/26/1066938126.db2.gz ZFASTSMLPOERIF-UHFFFAOYSA-N 0 0 514.519 4.689 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409175669 1066938108 /nfs/dbraw/zinc/93/81/08/1066938108.db2.gz UJBRYANLOXBPAV-YDZHTSKRSA-N 0 0 537.525 4.997 40 5 KJBBRN O=C(Nc1ncc(-c2cccc([N+](=O)[O-])c2)s1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409176366 1066937510 /nfs/dbraw/zinc/93/75/10/1066937510.db2.gz LQHBBMTXGBGSID-UHFFFAOYSA-N 0 0 510.509 4.712 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3)C4=O)cc2)cc1 ZINC000409176455 1066937518 /nfs/dbraw/zinc/93/75/18/1066937518.db2.gz NYJYDAPLQUZEKJ-UHFFFAOYSA-N 0 0 564.506 4.963 40 5 KJBBRN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409176458 1066937435 /nfs/dbraw/zinc/93/74/35/1066937435.db2.gz OAIRXRTXMQIAQD-UHFFFAOYSA-N 0 0 544.362 4.599 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c(C)c1 ZINC000409176718 1066937322 /nfs/dbraw/zinc/93/73/22/1066937322.db2.gz VXQWPPKBNAXNGS-CFRMEGHHSA-N 0 0 581.628 4.963 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409176725 1066937051 /nfs/dbraw/zinc/93/70/51/1066937051.db2.gz WAIOSJRNKZUALX-JAYSWQADSA-N 0 0 622.055 4.715 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409176726 1066937104 /nfs/dbraw/zinc/93/71/04/1066937104.db2.gz WAIOSJRNKZUALX-KEQCBNTKSA-N 0 0 622.055 4.715 40 5 KJBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409176739 1066936978 /nfs/dbraw/zinc/93/69/78/1066936978.db2.gz WHHSLRPXTGVPLX-HSZRJFAPSA-N 0 0 607.424 4.837 40 5 KJBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409176740 1066936927 /nfs/dbraw/zinc/93/69/27/1066936927.db2.gz WHHSLRPXTGVPLX-QHCPKHFHSA-N 0 0 607.424 4.837 40 5 KJBBRN Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)OCC(=O)c4ccc(C)c([N+](=O)[O-])c4)c2)C3=O)cc1[N+](=O)[O-] ZINC000409176760 1066937058 /nfs/dbraw/zinc/93/70/58/1066937058.db2.gz WZAKAVMBWLSLIJ-UHFFFAOYSA-N 0 0 665.567 5.000 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000409176859 1066937094 /nfs/dbraw/zinc/93/70/94/1066937094.db2.gz ZMJLUBPDZHMNIT-UHFFFAOYSA-N 0 0 559.552 4.995 40 5 KJBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409177251 1066205989 /nfs/dbraw/zinc/20/59/89/1066205989.db2.gz FQOLZGWRRWTQSI-OYKKKHCWSA-N 0 0 581.628 4.908 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177438 1066949325 /nfs/dbraw/zinc/94/93/25/1066949325.db2.gz ARHVHYJAYQGBDF-UHFFFAOYSA-N 0 0 525.917 4.677 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409177722 1066949333 /nfs/dbraw/zinc/94/93/33/1066949333.db2.gz GQMFLYAYYQVXHM-UHFFFAOYSA-N 0 0 507.927 4.538 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178069 1066949009 /nfs/dbraw/zinc/94/90/09/1066949009.db2.gz JFAVXBNQHUXSFV-ITIZVALFSA-N 0 0 653.467 4.946 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178077 1066949029 /nfs/dbraw/zinc/94/90/29/1066949029.db2.gz JFAVXBNQHUXSFV-YXDQGSNCSA-N 0 0 653.467 4.946 40 5 KJBBRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409178139 1066948950 /nfs/dbraw/zinc/94/89/50/1066948950.db2.gz KUEMVJLUCPUROL-JOCHJYFZSA-N 0 0 513.289 4.665 40 5 KJBBRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409178143 1066948927 /nfs/dbraw/zinc/94/89/27/1066948927.db2.gz KUEMVJLUCPUROL-QFIPXVFZSA-N 0 0 513.289 4.665 40 5 KJBBRN COc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(OC(=O)c5ccc(C)cc5)cc4)cc3C2=O)c([N+](=O)[O-])c1 ZINC000409178182 1066948911 /nfs/dbraw/zinc/94/89/11/1066948911.db2.gz FMFQLXCSSHIERV-UHFFFAOYSA-N 0 0 594.532 4.971 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178248 1066948974 /nfs/dbraw/zinc/94/89/74/1066948974.db2.gz KABLMEWVBZWRQN-UHFFFAOYSA-N 0 0 637.136 4.574 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 ZINC000409178587 1066948586 /nfs/dbraw/zinc/94/85/86/1066948586.db2.gz NCTGNXMOBAYERD-UHFFFAOYSA-N 0 0 504.495 4.576 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178635 1066948684 /nfs/dbraw/zinc/94/86/84/1066948684.db2.gz NJUAKFALQYWPHF-KEPJHFNWSA-N 0 0 599.665 4.603 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409178639 1066333690 /nfs/dbraw/zinc/33/36/90/1066333690.db2.gz NJUAKFALQYWPHF-MIUGUJGPSA-N 0 0 599.665 4.603 40 5 KJBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000409178682 1066948504 /nfs/dbraw/zinc/94/85/04/1066948504.db2.gz HKXZOZHTCXWCPZ-UHFFFAOYSA-N 0 0 573.739 4.860 40 5 KJBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccccc1Cl ZINC000409179016 1066948660 /nfs/dbraw/zinc/94/86/60/1066948660.db2.gz PIEGUVOMZCAJJZ-UHFFFAOYSA-N 0 0 529.288 4.751 40 5 KJBBRN Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)C3=O)cc1[N+](=O)[O-] ZINC000409179175 1066948614 /nfs/dbraw/zinc/94/86/14/1066948614.db2.gz KORLMIIDYQRMEY-UHFFFAOYSA-N 0 0 665.567 5.000 40 5 KJBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409179368 1066948231 /nfs/dbraw/zinc/94/82/31/1066948231.db2.gz MJQBVSXAJXBFKJ-QFEZKATASA-N 0 0 590.614 4.858 40 5 KJBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000409179380 1066948091 /nfs/dbraw/zinc/94/80/91/1066948091.db2.gz MOHRXYTVUAKQDZ-QFEZKATASA-N 0 0 611.654 4.917 40 5 KJBBRN CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409179714 1066334368 /nfs/dbraw/zinc/33/43/68/1066334368.db2.gz UKNOLYQNOVVZAZ-HSZRJFAPSA-N 0 0 635.434 4.519 40 5 KJBBRN CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409179717 1066948252 /nfs/dbraw/zinc/94/82/52/1066948252.db2.gz UKNOLYQNOVVZAZ-QHCPKHFHSA-N 0 0 635.434 4.519 40 5 KJBBRN CCOC(=O)c1ccc(COC(=O)c2cc(Cl)c(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2OC)cc1 ZINC000409179750 1066948034 /nfs/dbraw/zinc/94/80/34/1066948034.db2.gz UUOYSXJDTRNHRW-UHFFFAOYSA-N 0 0 538.896 4.591 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409179839 1066948241 /nfs/dbraw/zinc/94/82/41/1066948241.db2.gz UFTXDNOKANHYDR-UHFFFAOYSA-N 0 0 503.964 4.708 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409179864 1066948118 /nfs/dbraw/zinc/94/81/18/1066948118.db2.gz OQRFVMKCAZAYRN-UHFFFAOYSA-N 0 0 559.552 4.995 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179923 1066948168 /nfs/dbraw/zinc/94/81/68/1066948168.db2.gz PXPYRWOJICAEPG-ITIZVALFSA-N 0 0 609.016 4.837 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409179924 1066948142 /nfs/dbraw/zinc/94/81/42/1066948142.db2.gz PXPYRWOJICAEPG-YXDQGSNCSA-N 0 0 609.016 4.837 40 5 KJBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000409180242 1066947622 /nfs/dbraw/zinc/94/76/22/1066947622.db2.gz XGQQFMGZXPFUIF-UHFFFAOYSA-N 0 0 529.288 4.751 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180253 1066947711 /nfs/dbraw/zinc/94/77/11/1066947711.db2.gz QMCIOEAKGCYQSN-FHQMNNMHSA-N 0 0 644.662 4.511 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409180257 1066947787 /nfs/dbraw/zinc/94/77/87/1066947787.db2.gz QMCIOEAKGCYQSN-IPAKXIGBSA-N 0 0 644.662 4.511 40 5 KJBBRN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000409180715 1066947528 /nfs/dbraw/zinc/94/75/28/1066947528.db2.gz ZEECNGJOGCUJAB-UHFFFAOYSA-N 0 0 545.525 4.687 40 5 KJBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 ZINC000409180755 1066947771 /nfs/dbraw/zinc/94/77/71/1066947771.db2.gz ZUQINCHMARNWDK-HAHDFKILSA-N 0 0 597.627 4.609 40 5 KJBBRN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000409180960 1066947537 /nfs/dbraw/zinc/94/75/37/1066947537.db2.gz ZRLHVQYXYYONJX-UHFFFAOYSA-N 0 0 517.943 4.939 40 5 KJBBRN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409181058 1066947587 /nfs/dbraw/zinc/94/75/87/1066947587.db2.gz ZTMOLSAPKQXYMJ-UHFFFAOYSA-N 0 0 558.389 4.989 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181143 1066947039 /nfs/dbraw/zinc/94/70/39/1066947039.db2.gz XSLFZBRTFKBXMM-QPJBPQEWSA-N 0 0 557.628 4.567 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181144 1066947073 /nfs/dbraw/zinc/94/70/73/1066947073.db2.gz XSLFZBRTFKBXMM-QTTRZTASSA-N 0 0 557.628 4.567 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181276 1066947100 /nfs/dbraw/zinc/94/71/00/1066947100.db2.gz AOWCMFREOLUZGW-BJJGPXNVSA-N 0 0 635.334 4.848 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181279 1066947123 /nfs/dbraw/zinc/94/71/23/1066947123.db2.gz AOWCMFREOLUZGW-IOKRJLGCSA-N 0 0 635.334 4.848 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181594 1066947093 /nfs/dbraw/zinc/94/70/93/1066947093.db2.gz DJRUAOBXFLSKBY-UHFFFAOYSA-N 0 0 538.409 4.730 40 5 KJBBRN COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c(C)c1 ZINC000409181623 1066947144 /nfs/dbraw/zinc/94/71/44/1066947144.db2.gz DHSVVPXCIDWGOU-UHFFFAOYSA-N 0 0 522.897 4.714 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409181757 1066947135 /nfs/dbraw/zinc/94/71/35/1066947135.db2.gz DIUCUPXGOVISRM-UHFFFAOYSA-N 0 0 593.489 4.763 40 5 KJBBRN Cc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 ZINC000409182037 1066947086 /nfs/dbraw/zinc/94/70/86/1066947086.db2.gz HYNXBJMCMAXSSB-UHFFFAOYSA-N 0 0 514.519 4.689 40 5 KJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000409182167 1066947200 /nfs/dbraw/zinc/94/72/00/1066947200.db2.gz IQTCCUPAVDLIKX-GNKBHMEESA-N 0 0 510.502 4.831 40 5 KJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000409182169 1066947117 /nfs/dbraw/zinc/94/71/17/1066947117.db2.gz IQTCCUPAVDLIKX-GSLIJJQTSA-N 0 0 510.502 4.831 40 5 KJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000409182172 1066947107 /nfs/dbraw/zinc/94/71/07/1066947107.db2.gz IQTCCUPAVDLIKX-MZKUHISZSA-N 0 0 510.502 4.831 40 5 KJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000409182174 1066206744 /nfs/dbraw/zinc/20/67/44/1066206744.db2.gz IQTCCUPAVDLIKX-RMTZWNOUSA-N 0 0 510.502 4.831 40 5 KJBBRN CS(=O)(=O)CC[C@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409182369 1066946811 /nfs/dbraw/zinc/94/68/11/1066946811.db2.gz KSKUJMJTYVQXMA-HSZRJFAPSA-N 0 0 607.424 4.837 40 5 KJBBRN CS(=O)(=O)CC[C@@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409182370 1066946805 /nfs/dbraw/zinc/94/68/05/1066946805.db2.gz KSKUJMJTYVQXMA-QHCPKHFHSA-N 0 0 607.424 4.837 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182448 1066946729 /nfs/dbraw/zinc/94/67/29/1066946729.db2.gz KYUBITUXKZCTON-LCQSEVKBSA-N 0 0 569.639 4.594 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182449 1066946796 /nfs/dbraw/zinc/94/67/96/1066946796.db2.gz KYUBITUXKZCTON-UQDCTOEPSA-N 0 0 569.639 4.594 40 5 KJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409182697 1066946679 /nfs/dbraw/zinc/94/66/79/1066946679.db2.gz NSAFRDZRKKYQSZ-FQEVSTJZSA-N 0 0 530.243 4.955 40 5 KJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409182698 1066946749 /nfs/dbraw/zinc/94/67/49/1066946749.db2.gz NSAFRDZRKKYQSZ-HXUWFJFHSA-N 0 0 530.243 4.955 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409182750 1066334385 /nfs/dbraw/zinc/33/43/85/1066334385.db2.gz NONZECITIPSEFJ-MXAYSNPKSA-N 0 0 590.614 4.913 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182776 1066946776 /nfs/dbraw/zinc/94/67/76/1066946776.db2.gz OGQXVHVWAISDJO-KAEGSSFASA-N 0 0 658.689 4.901 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409182779 1066946717 /nfs/dbraw/zinc/94/67/17/1066946717.db2.gz OGQXVHVWAISDJO-PLMBTIQCSA-N 0 0 658.689 4.901 40 5 KJBBRN O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409182928 1066946368 /nfs/dbraw/zinc/94/63/68/1066946368.db2.gz QEWIVLKNNVAWBW-UHFFFAOYSA-N 0 0 512.341 4.991 40 5 KJBBRN CCc1ccc(C(=O)COC(=O)c2cc(Cl)c(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2OC)cc1 ZINC000409183166 1066946287 /nfs/dbraw/zinc/94/62/87/1066946287.db2.gz QJHYQKXDTFZZBQ-UHFFFAOYSA-N 0 0 522.897 4.660 40 5 KJBBRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409183446 1066946322 /nfs/dbraw/zinc/94/63/22/1066946322.db2.gz SBKDTPNORSJTQB-UHFFFAOYSA-N 0 0 529.288 4.716 40 5 KJBBRN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4ccc(C(=O)OCC(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4C3=O)cc2)cc1[N+](=O)[O-] ZINC000409183818 1066946269 /nfs/dbraw/zinc/94/62/69/1066946269.db2.gz VBVJYJURSXCVGR-UHFFFAOYSA-N 0 0 665.567 5.000 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184364 1066945814 /nfs/dbraw/zinc/94/58/14/1066945814.db2.gz WNDCMSWRYHTHCA-ITNPZBTBSA-N 0 0 613.692 4.993 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184368 1066945971 /nfs/dbraw/zinc/94/59/71/1066945971.db2.gz WNDCMSWRYHTHCA-UAMLYEQYSA-N 0 0 613.692 4.993 40 5 KJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000409184389 1066945916 /nfs/dbraw/zinc/94/59/16/1066945916.db2.gz XVABJYVUWJRJKU-GNKBHMEESA-N 0 0 510.502 4.831 40 5 KJBBRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3cccc([N+](=O)[O-])c3)C4=O)cc2)cc1 ZINC000409184392 1066946008 /nfs/dbraw/zinc/94/60/08/1066946008.db2.gz WRRCPPWQRPYRPZ-UHFFFAOYSA-N 0 0 564.506 4.963 40 5 KJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000409184393 1066945804 /nfs/dbraw/zinc/94/58/04/1066945804.db2.gz XVABJYVUWJRJKU-GSLIJJQTSA-N 0 0 510.502 4.831 40 5 KJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000409184396 1066946017 /nfs/dbraw/zinc/94/60/17/1066946017.db2.gz XVABJYVUWJRJKU-MZKUHISZSA-N 0 0 510.502 4.831 40 5 KJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000409184400 1066946001 /nfs/dbraw/zinc/94/60/01/1066946001.db2.gz XVABJYVUWJRJKU-RMTZWNOUSA-N 0 0 510.502 4.831 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184426 1066945962 /nfs/dbraw/zinc/94/59/62/1066945962.db2.gz XZJDQSSHVJDBGQ-AQIZGWBQSA-N 0 0 564.019 4.928 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409184430 1066945894 /nfs/dbraw/zinc/94/58/94/1066945894.db2.gz XZJDQSSHVJDBGQ-ZDGAQAAHSA-N 0 0 564.019 4.928 40 5 KJBBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)O1 ZINC000409187789 1066956950 /nfs/dbraw/zinc/95/69/50/1066956950.db2.gz CJIKICHWZNLNMT-ODLFYWEKSA-N 0 0 508.870 4.829 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3ccc(OC(C)=O)c(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409188027 1066956521 /nfs/dbraw/zinc/95/65/21/1066956521.db2.gz FFLOMJNYYMHEFP-MNNJAOHFSA-N 0 0 572.526 4.891 40 5 KJBBRN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000409188633 1066956428 /nfs/dbraw/zinc/95/64/28/1066956428.db2.gz IMBQEYHCVJWBDX-UNOMPAQXSA-N 0 0 523.295 4.930 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409188641 1066956490 /nfs/dbraw/zinc/95/64/90/1066956490.db2.gz ISHNLTUFESAZME-BYHXYDORSA-N 0 0 529.461 4.865 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409188644 1066956419 /nfs/dbraw/zinc/95/64/19/1066956419.db2.gz IYCLKCOKKHXUEK-QCWRLZRTSA-N 0 0 514.490 4.965 40 5 KJBBRN COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O ZINC000409188664 1066956512 /nfs/dbraw/zinc/95/65/12/1066956512.db2.gz JJCNEAZMGKKPHE-NDENLUEZSA-N 0 0 581.331 4.855 40 5 KJBBRN COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409188905 1066956010 /nfs/dbraw/zinc/95/60/10/1066956010.db2.gz CCXNWAFOLRACDM-BGVJUERLSA-N 0 0 560.515 4.593 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409189404 1066956021 /nfs/dbraw/zinc/95/60/21/1066956021.db2.gz GFQAZCQTVRWWFR-YESAZDHWSA-N 0 0 514.490 4.965 40 5 KJBBRN COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000409189561 1066956095 /nfs/dbraw/zinc/95/60/95/1066956095.db2.gz QKZRDAXZKMXOCU-MOSHPQCFSA-N 0 0 523.295 4.930 40 5 KJBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O ZINC000409189927 1066955646 /nfs/dbraw/zinc/95/56/46/1066955646.db2.gz NRFKANYXJYQTGH-ASUFAWQPSA-N 0 0 509.268 4.914 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409190053 1066955534 /nfs/dbraw/zinc/95/55/34/1066955534.db2.gz VIAPMFVWUSXOHN-LJUDIJJWSA-N 0 0 514.490 4.965 40 5 KJBBRN CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409190073 1066955639 /nfs/dbraw/zinc/95/56/39/1066955639.db2.gz VRXISJNPKPTYCQ-NVNXTCNLSA-N 0 0 524.121 4.780 40 5 KJBBRN COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409190476 1066334844 /nfs/dbraw/zinc/33/48/44/1066334844.db2.gz OGFBYEBGDTVCKR-SKMABFAHSA-N 0 0 560.515 4.593 40 5 KJBBRN COc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)cc1 ZINC000409190542 1066955076 /nfs/dbraw/zinc/95/50/76/1066955076.db2.gz ZEFLDADUPSIOIT-BYHXYDORSA-N 0 0 500.463 4.575 40 5 KJBBRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)cc1OCC ZINC000409190545 1066955144 /nfs/dbraw/zinc/95/51/44/1066955144.db2.gz RYVUODAJBDLHRJ-STZFKDTASA-N 0 0 532.505 4.965 40 5 KJBBRN CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409190711 1066955252 /nfs/dbraw/zinc/95/52/52/1066955252.db2.gz VPAKNJMVWTXGAS-BXENVCTKSA-N 0 0 528.473 4.686 40 5 KJBBRN COc1cccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)c1 ZINC000409191211 1066206598 /nfs/dbraw/zinc/20/65/98/1066206598.db2.gz DLPKANXSTJVZTQ-PRSXHFSJSA-N 0 0 500.463 4.575 40 5 KJBBRN CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409191279 1066954693 /nfs/dbraw/zinc/95/46/93/1066954693.db2.gz GAWKUKBXJVCESO-DXGHLENMSA-N 0 0 528.473 4.686 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409191814 1066334803 /nfs/dbraw/zinc/33/48/03/1066334803.db2.gz NYLJWVMYCZABNE-VEJJZHSVSA-N 0 0 529.461 4.865 40 5 KJBBRN COc1cc(/C=C2\N=C(c3ccc(OC(C)=O)c(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409192175 1066953873 /nfs/dbraw/zinc/95/38/73/1066953873.db2.gz BCGYIBDJMJTGGZ-SFXXWVNYSA-N 0 0 558.499 4.501 40 5 KJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O ZINC000409192234 1066953925 /nfs/dbraw/zinc/95/39/25/1066953925.db2.gz ACCDKXWKYKNWMO-OMCPYIIGSA-N 0 0 509.268 4.914 40 5 KJBBRN COc1cc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC ZINC000409192353 1066949774 /nfs/dbraw/zinc/94/97/74/1066949774.db2.gz WRCWGTLZBVVYJB-IXDZKQDKSA-N 0 0 530.489 4.584 40 5 KJBBRN COc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1 ZINC000409192366 1066949825 /nfs/dbraw/zinc/94/98/25/1066949825.db2.gz BINJEIQMULXSAQ-VEJJZHSVSA-N 0 0 500.463 4.575 40 5 KJBBRN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409192629 1066953817 /nfs/dbraw/zinc/95/38/17/1066953817.db2.gz CZLQFPCVFINMOY-VCHYOVAHSA-N 0 0 537.278 4.650 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409193036 1066953511 /nfs/dbraw/zinc/95/35/11/1066953511.db2.gz AOBCBGJTYXBIDX-FSJBWODESA-N 0 0 535.534 4.918 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409193186 1066953236 /nfs/dbraw/zinc/95/32/36/1066953236.db2.gz DWTIPZVJEDHCBP-XKZIYDEJSA-N 0 0 550.549 4.864 40 5 KJBBRN COc1cccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)c1 ZINC000409193396 1066953209 /nfs/dbraw/zinc/95/32/09/1066953209.db2.gz JXGAERIPGXFWBQ-UYGCDOBZSA-N 0 0 500.463 4.575 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409193500 1066953272 /nfs/dbraw/zinc/95/32/72/1066953272.db2.gz DTYPDIVPKASUKU-PCLIKHOPSA-N 0 0 546.605 4.857 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409193562 1066952687 /nfs/dbraw/zinc/95/26/87/1066952687.db2.gz GPQYQWZJCDIVGQ-MYYYXRDXSA-N 0 0 562.604 4.983 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409193573 1066953255 /nfs/dbraw/zinc/95/32/55/1066953255.db2.gz GXYZCOJIGBVJKB-HZHRSRAPSA-N 0 0 552.996 4.893 40 5 KJBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409193605 1066953174 /nfs/dbraw/zinc/95/31/74/1066953174.db2.gz HRWWGARLLHVMOV-DJKKODMXSA-N 0 0 501.473 4.531 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409193618 1066953131 /nfs/dbraw/zinc/95/31/31/1066953131.db2.gz HYZREKULIIOVGK-YVNNLAQVSA-N 0 0 564.532 4.585 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409193931 1066952779 /nfs/dbraw/zinc/95/27/79/1066952779.db2.gz ICBMTJCOFOTACF-UFFVCSGVSA-N 0 0 507.480 4.567 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409193960 1066952760 /nfs/dbraw/zinc/95/27/60/1066952760.db2.gz IXKPFFQKPOAKLQ-YBFXNURJSA-N 0 0 501.473 4.675 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409194149 1066952836 /nfs/dbraw/zinc/95/28/36/1066952836.db2.gz OJBKVNFAJQDOGT-NHGLXRKWSA-N 0 0 514.490 4.965 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409194414 1066952315 /nfs/dbraw/zinc/95/23/15/1066952315.db2.gz LCEGCGRPYSINOT-ZMOGYAJESA-N 0 0 549.561 4.866 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409194634 1066952371 /nfs/dbraw/zinc/95/23/71/1066952371.db2.gz KUBAGYRBTAYRHR-XYGWBWBKSA-N 0 0 546.605 4.857 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(F)c(F)c1F ZINC000409194715 1066951810 /nfs/dbraw/zinc/95/18/10/1066951810.db2.gz LPIXDCRNJRYBPJ-PQMHYQBVSA-N 0 0 506.245 4.994 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409194758 1066951928 /nfs/dbraw/zinc/95/19/28/1066951928.db2.gz QWASMOBBYREPTK-UYGCDOBZSA-N 0 0 574.542 4.983 40 5 KJBBRN COc1ccc(-c2s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409194881 1066951903 /nfs/dbraw/zinc/95/19/03/1066951903.db2.gz DURWPBCMDAPTHY-QPLCGJKRSA-N 0 0 520.523 4.995 40 5 KJBBRN CCOc1ccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000409194952 1066335406 /nfs/dbraw/zinc/33/54/06/1066335406.db2.gz RGIAANOSAOARJU-QNGOZBTKSA-N 0 0 502.479 4.956 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409194979 1066951380 /nfs/dbraw/zinc/95/13/80/1066951380.db2.gz OAHRQEWNYUUHGW-YZSQISJMSA-N 0 0 574.615 4.685 40 5 KJBBRN CCOc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409195044 1066335800 /nfs/dbraw/zinc/33/58/00/1066335800.db2.gz QZCKEGIEEPSRIY-PRSXHFSJSA-N 0 0 574.542 4.983 40 5 KJBBRN COc1cc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC ZINC000409195291 1066951526 /nfs/dbraw/zinc/95/15/26/1066951526.db2.gz TYRJDHOIJVBVHU-AROKFOENSA-N 0 0 530.489 4.584 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409195310 1066951399 /nfs/dbraw/zinc/95/13/99/1066951399.db2.gz OIAAIGUXLJRIFD-AXLWCPOOSA-N 0 0 501.517 4.559 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409195313 1066951472 /nfs/dbraw/zinc/95/14/72/1066951472.db2.gz OIAAIGUXLJRIFD-KVMVOAJRSA-N 0 0 501.517 4.559 40 5 KJBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409195391 1066951508 /nfs/dbraw/zinc/95/15/08/1066951508.db2.gz PJKIYZVDAMXOEE-XDHOZWIPSA-N 0 0 504.455 4.787 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409195397 1066951387 /nfs/dbraw/zinc/95/13/87/1066951387.db2.gz IJBCGUOYMOFZIN-OYKKKHCWSA-N 0 0 560.588 4.802 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409195399 1066951465 /nfs/dbraw/zinc/95/14/65/1066951465.db2.gz IJTAZJXTLJAYQO-FMCGGJTJSA-N 0 0 578.559 4.627 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409195789 1066951097 /nfs/dbraw/zinc/95/10/97/1066951097.db2.gz SBMAQQANPZQGEN-DTQASYIRSA-N 0 0 509.334 4.995 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409195793 1066951036 /nfs/dbraw/zinc/95/10/36/1066951036.db2.gz SBMAQQANPZQGEN-LBFZPMSMSA-N 0 0 509.334 4.995 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409195976 1066951061 /nfs/dbraw/zinc/95/10/61/1066951061.db2.gz LSSOOYKCIBNRFP-ZMOGYAJESA-N 0 0 547.545 4.620 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409196246 1066950598 /nfs/dbraw/zinc/95/05/98/1066950598.db2.gz 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/nfs/dbraw/zinc/95/01/60/1066950160.db2.gz ONYQMMIOTGHYLP-BUVRLJJBSA-N 0 0 548.577 4.675 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409196602 1066950021 /nfs/dbraw/zinc/95/00/21/1066950021.db2.gz QGRSFWYBBYZLKB-UQQQWYQISA-N 0 0 589.630 4.566 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409196661 1066336058 /nfs/dbraw/zinc/33/60/58/1066336058.db2.gz XKBJUBYGUYSPEC-BUESGFEBSA-N 0 0 501.473 4.673 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409196663 1066950203 /nfs/dbraw/zinc/95/02/03/1066950203.db2.gz XKBJUBYGUYSPEC-UZPSYVQNSA-N 0 0 501.473 4.673 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])c(OCC)c2)C1=O ZINC000409196738 1066335875 /nfs/dbraw/zinc/33/58/75/1066335875.db2.gz WWSCYOHYDHJCRQ-HYARGMPZSA-N 0 0 514.556 4.952 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)C1=O 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O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409197168 1066949706 /nfs/dbraw/zinc/94/97/06/1066949706.db2.gz XOZNYZJVKKWIAE-ONUIUJJFSA-N 0 0 574.615 4.685 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409197253 1066335858 /nfs/dbraw/zinc/33/58/58/1066335858.db2.gz ZULAVGMKUJXZMO-UFFVCSGVSA-N 0 0 545.526 4.930 40 5 KJBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409197272 1066949685 /nfs/dbraw/zinc/94/96/85/1066949685.db2.gz AGXNABQONQCTHE-MFKUBSTISA-N 0 0 635.611 4.816 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409197341 1066336044 /nfs/dbraw/zinc/33/60/44/1066336044.db2.gz CBZUZYLZHCWCAO-BUVRLJJBSA-N 0 0 548.577 4.675 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000409197588 1066963837 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409197677 1066963491 /nfs/dbraw/zinc/96/34/91/1066963491.db2.gz LXRFNCKTPAJZGO-RGDUZTMSSA-N 0 0 630.679 4.691 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409197794 1066963503 /nfs/dbraw/zinc/96/35/03/1066963503.db2.gz PAVYXDDUFZRMPP-FOKLQQMPSA-N 0 0 578.515 4.742 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409197934 1066336582 /nfs/dbraw/zinc/33/65/82/1066336582.db2.gz SFMQIFFQYGEKEV-DHRITJCHSA-N 0 0 577.571 4.629 40 5 KJBBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409197997 1066336387 /nfs/dbraw/zinc/33/63/87/1066336387.db2.gz TZQRBNMHCNTIPE-DJKKODMXSA-N 0 0 501.473 4.531 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409198056 1066336543 /nfs/dbraw/zinc/33/65/43/1066336543.db2.gz VVWBTNWEVFTNRP-FPQGOQEYSA-N 0 0 500.529 4.560 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409198057 1066963178 /nfs/dbraw/zinc/96/31/78/1066963178.db2.gz VVWBTNWEVFTNRP-UGVMZYNRSA-N 0 0 500.529 4.560 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409198086 1066963647 /nfs/dbraw/zinc/96/36/47/1066963647.db2.gz WSGOEXPZEXXPHZ-VULFUBBASA-N 0 0 559.600 4.804 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409198166 1066963588 /nfs/dbraw/zinc/96/35/88/1066963588.db2.gz YVDUMOKCROEVLG-QLPFJNHISA-N 0 0 514.556 4.951 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409198167 1066336564 /nfs/dbraw/zinc/33/65/64/1066336564.db2.gz YVDUMOKCROEVLG-QPNANDPSSA-N 0 0 514.556 4.951 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409198256 1066963137 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CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409198488 1066962724 /nfs/dbraw/zinc/96/27/24/1066962724.db2.gz BDRLYHZDVDRMED-WSDLNYQXSA-N 0 0 514.556 4.808 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409198497 1066962815 /nfs/dbraw/zinc/96/28/15/1066962815.db2.gz GREFCIBFPRVSAE-XYGWBWBKSA-N 0 0 605.629 4.692 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409198577 1066336464 /nfs/dbraw/zinc/33/64/64/1066336464.db2.gz IAFNTJNWOORYPJ-IWIPYMOSSA-N 0 0 533.562 4.900 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409198650 1066962372 /nfs/dbraw/zinc/96/23/72/1066962372.db2.gz JDMGMOVQIQIFMS-JWGURIENSA-N 0 0 540.575 4.650 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409198693 1066962823 /nfs/dbraw/zinc/96/28/23/1066962823.db2.gz CZLGZQNTGASHCR-FYJGNVAPSA-N 0 0 500.529 4.562 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409198716 1066962779 /nfs/dbraw/zinc/96/27/79/1066962779.db2.gz KCEOIVJDKMVZCM-NLRVBDNBSA-N 0 0 558.616 4.559 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409198741 1066962851 /nfs/dbraw/zinc/96/28/51/1066962851.db2.gz KLQLFSCJWXSRTD-BRJLIKDPSA-N 0 0 577.571 4.629 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409198822 1066962364 /nfs/dbraw/zinc/96/23/64/1066962364.db2.gz LKUWTUDQDDJXAE-MFKUBSTISA-N 0 0 562.604 4.983 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 ZINC000409198845 1066962353 /nfs/dbraw/zinc/96/23/53/1066962353.db2.gz LVTDLXDALDEFRW-NVNXTCNLSA-N 0 0 541.177 4.795 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409198955 1066962388 /nfs/dbraw/zinc/96/23/88/1066962388.db2.gz MSDGOZORRSZMNI-UPWSPCOFSA-N 0 0 620.083 4.948 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1Cl ZINC000409198961 1066962471 /nfs/dbraw/zinc/96/24/71/1066962471.db2.gz MSDGOZORRSZMNI-ZJTZAHLKSA-N 0 0 620.083 4.948 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409198969 1066335923 /nfs/dbraw/zinc/33/59/23/1066335923.db2.gz MTQXKCBSZFFLSK-APSNUPSMSA-N 0 0 510.753 4.994 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409199091 1066962414 /nfs/dbraw/zinc/96/24/14/1066962414.db2.gz GZCXGUMPUMCNAL-WPWMEQJKSA-N 0 0 604.641 4.694 40 5 KJBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409199512 1066962104 /nfs/dbraw/zinc/96/21/04/1066962104.db2.gz OGKNHHLQWAQBMF-IUXPMGMMSA-N 0 0 568.789 4.862 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409199559 1066961989 /nfs/dbraw/zinc/96/19/89/1066961989.db2.gz PASAXUUOEHMKNU-NPNVKNKFSA-N 0 0 531.499 4.682 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409199560 1066961951 /nfs/dbraw/zinc/96/19/51/1066961951.db2.gz PASAXUUOEHMKNU-RNDVCUHJSA-N 0 0 531.499 4.682 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409199561 1066961982 /nfs/dbraw/zinc/96/19/82/1066961982.db2.gz PBSMKHSQZJNSTD-BUVRLJJBSA-N 0 0 548.577 4.675 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409200036 1066962013 /nfs/dbraw/zinc/96/20/13/1066962013.db2.gz FSHCGABHPUJKMR-SRZZPIQSSA-N 0 0 599.369 4.615 40 5 KJBBRN O=C(CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F ZINC000409200124 1066961939 /nfs/dbraw/zinc/96/19/39/1066961939.db2.gz GVGOPHMXONHLEZ-CIAFOILYSA-N 0 0 569.343 4.607 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200721 1066961683 /nfs/dbraw/zinc/96/16/83/1066961683.db2.gz JXEABTAAZUNPHM-SRZZPIQSSA-N 0 0 554.918 4.506 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409200924 1066961629 /nfs/dbraw/zinc/96/16/29/1066961629.db2.gz UCWWETKZZJHAMM-FOKLQQMPSA-N 0 0 578.515 4.742 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201128 1066961606 /nfs/dbraw/zinc/96/16/06/1066961606.db2.gz NWBOLXCOMHRPLZ-BHGWPJFGSA-N 0 0 608.541 4.750 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409201743 1066336877 /nfs/dbraw/zinc/33/68/77/1066336877.db2.gz XQXDTHPJSHEECB-LFVJCYFKSA-N 0 0 532.578 4.548 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409201816 1066961137 /nfs/dbraw/zinc/96/11/37/1066961137.db2.gz YKUCQQKJRPSLTD-SRZZPIQSSA-N 0 0 541.925 4.954 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409201918 1066961173 /nfs/dbraw/zinc/96/11/73/1066961173.db2.gz RBPKEIYJKROVQR-QLPFJNHISA-N 0 0 514.556 4.951 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409201921 1066961284 /nfs/dbraw/zinc/96/12/84/1066961284.db2.gz RBPKEIYJKROVQR-QPNANDPSSA-N 0 0 514.556 4.951 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409202077 1066961227 /nfs/dbraw/zinc/96/12/27/1066961227.db2.gz OOWKKZBSAMBYMX-WSDLNYQXSA-N 0 0 660.396 4.848 40 5 KJBBRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000409202505 1066960797 /nfs/dbraw/zinc/96/07/97/1066960797.db2.gz TXDULXBXBLLJNJ-FRKPEAEDSA-N 0 0 526.752 4.694 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl ZINC000409203116 1066960748 /nfs/dbraw/zinc/96/07/48/1066960748.db2.gz WJVFIZVJLRSPLE-JMIUGGIZSA-N 0 0 568.951 4.897 40 5 KJBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409203172 1066336964 /nfs/dbraw/zinc/33/69/64/1066336964.db2.gz WQDSZUSIRBIHBE-CAOOACKPSA-N 0 0 509.334 4.853 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409203368 1066960724 /nfs/dbraw/zinc/96/07/24/1066960724.db2.gz WSYKDZASZNFUQY-UFFVCSGVSA-N 0 0 599.369 4.615 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409203809 1066960381 /nfs/dbraw/zinc/96/03/81/1066960381.db2.gz ZJYMSXRDMBEWSX-HAHDFKILSA-N 0 0 524.576 4.950 40 5 KJBBRN CC(C)c1cc(I)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000409203983 1066960409 /nfs/dbraw/zinc/96/04/09/1066960409.db2.gz AREFAZNYUXMPTF-UHFFFAOYSA-N 0 0 502.692 4.772 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)N1CCN(c2ccccc2)CC1 ZINC000409204042 1066960308 /nfs/dbraw/zinc/96/03/08/1066960308.db2.gz BZKQQJMMKXEESX-PCLIKHOPSA-N 0 0 589.586 4.680 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409204059 1066960456 /nfs/dbraw/zinc/96/04/56/1066960456.db2.gz CHUPXLBRONQPEU-IWIPYMOSSA-N 0 0 554.602 4.959 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409204069 1066960342 /nfs/dbraw/zinc/96/03/42/1066960342.db2.gz AEHUUYBYTZKWOV-OVVQPSECSA-N 0 0 588.642 4.568 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409204143 1066960431 /nfs/dbraw/zinc/96/04/31/1066960431.db2.gz CEOSUWHQEMDBLR-FYJGNVAPSA-N 0 0 500.529 4.562 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409204196 1066960092 /nfs/dbraw/zinc/96/00/92/1066960092.db2.gz DDNGVESVYBGEIO-SRZZPIQSSA-N 0 0 541.925 4.954 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409204276 1066960099 /nfs/dbraw/zinc/96/00/99/1066960099.db2.gz FEEVSLKQSGGEFH-XKZIYDEJSA-N 0 0 550.549 4.864 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409204342 1066959709 /nfs/dbraw/zinc/95/97/09/1066959709.db2.gz FXHCATMKPJWCBV-DHRITJCHSA-N 0 0 577.571 4.629 40 5 KJBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409204352 1066959974 /nfs/dbraw/zinc/95/99/74/1066959974.db2.gz GEHKWUHWXSDOHH-PCLIKHOPSA-N 0 0 619.612 4.689 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409204367 1066959997 /nfs/dbraw/zinc/95/99/97/1066959997.db2.gz GATXVBGFKKNDDE-JYXZFHPPSA-N 0 0 621.071 4.946 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409204368 1066960106 /nfs/dbraw/zinc/96/01/06/1066960106.db2.gz GATXVBGFKKNDDE-LMVGNEGFSA-N 0 0 621.071 4.946 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409204369 1066960016 /nfs/dbraw/zinc/96/00/16/1066960016.db2.gz GAVDVEZRNCEQBH-TURZUDJPSA-N 0 0 602.669 4.958 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409204423 1066960008 /nfs/dbraw/zinc/96/00/08/1066960008.db2.gz HBWFQVAKFCDDGU-LFVJCYFKSA-N 0 0 532.578 4.548 40 5 KJBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409204527 1066959647 /nfs/dbraw/zinc/95/96/47/1066959647.db2.gz ICTBXJXMNMVETF-PXNMLYILSA-N 0 0 508.375 4.754 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409204562 1066959668 /nfs/dbraw/zinc/95/96/68/1066959668.db2.gz ACPCJWJQCMBSNU-RGVLZGJSSA-N 0 0 531.499 4.684 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409204726 1066337549 /nfs/dbraw/zinc/33/75/49/1066337549.db2.gz IUSKTZWTOYXIDY-YSURURNPSA-N 0 0 563.544 4.586 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409204733 1066959718 /nfs/dbraw/zinc/95/97/18/1066959718.db2.gz JTFPVVOPISVQOK-JVWAILMASA-N 0 0 604.641 4.694 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409204736 1066959562 /nfs/dbraw/zinc/95/95/62/1066959562.db2.gz IZTMEMRKAXNZLU-BLJGQIRFSA-N 0 0 577.018 4.547 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409204738 1066959635 /nfs/dbraw/zinc/95/96/35/1066959635.db2.gz IZTMEMRKAXNZLU-MLJBDGAYSA-N 0 0 577.018 4.547 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409204758 1066959243 /nfs/dbraw/zinc/95/92/43/1066959243.db2.gz JGSZJYMFBOHKJM-MFKUBSTISA-N 0 0 605.585 4.807 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409204865 1066959572 /nfs/dbraw/zinc/95/95/72/1066959572.db2.gz CQRMDRKSZOFVSS-NGZBARDMSA-N 0 0 500.529 4.560 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409204866 1066959605 /nfs/dbraw/zinc/95/96/05/1066959605.db2.gz CQRMDRKSZOFVSS-VRCTWVPOSA-N 0 0 500.529 4.560 40 5 KJBBRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000409204910 1066959257 /nfs/dbraw/zinc/95/92/57/1066959257.db2.gz DEXNYMUUOZWOCQ-APSNUPSMSA-N 0 0 510.753 4.994 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409204924 1066959173 /nfs/dbraw/zinc/95/91/73/1066959173.db2.gz DKRDVSOJUZIYHH-CIAFOILYSA-N 0 0 500.529 4.562 40 5 KJBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205016 1066959226 /nfs/dbraw/zinc/95/92/26/1066959226.db2.gz NDUHVHXIUIEDRF-DJKKODMXSA-N 0 0 531.499 4.539 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409205077 1066959274 /nfs/dbraw/zinc/95/92/74/1066959274.db2.gz KZVSRFSYMDYYLD-YBFXNURJSA-N 0 0 501.473 4.675 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)cc1[N+](=O)[O-] ZINC000409205174 1066959287 /nfs/dbraw/zinc/95/92/87/1066959287.db2.gz FYLLRZVTAVIVTJ-WSDLNYQXSA-N 0 0 521.507 4.609 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205325 1066958761 /nfs/dbraw/zinc/95/87/61/1066958761.db2.gz HDDLBHKIGUMSBC-TURZUDJPSA-N 0 0 602.669 4.958 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409205487 1066958539 /nfs/dbraw/zinc/95/85/39/1066958539.db2.gz NTYIHPVERZSQAA-HYARGMPZSA-N 0 0 514.556 4.952 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409205493 1066958504 /nfs/dbraw/zinc/95/85/04/1066958504.db2.gz NXOFUMUSNHFDBQ-OBDCIHEFSA-N 0 0 629.691 4.693 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409205494 1066958527 /nfs/dbraw/zinc/95/85/27/1066958527.db2.gz NXOFUMUSNHFDBQ-SJXDCSIJSA-N 0 0 629.691 4.693 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409205504 1066958434 /nfs/dbraw/zinc/95/84/34/1066958434.db2.gz ODEAQSWZKNHBAB-YZSQISJMSA-N 0 0 574.615 4.685 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Br)c(Cl)c2)C1=O ZINC000409205605 1066958814 /nfs/dbraw/zinc/95/88/14/1066958814.db2.gz RJTUXIPHGZRRCW-FRKPEAEDSA-N 0 0 526.752 4.694 40 5 KJBBRN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409205762 1066958323 /nfs/dbraw/zinc/95/83/23/1066958323.db2.gz TUVBALFAULOGDN-UHFFFAOYSA-N 0 0 538.807 4.840 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409205810 1066958356 /nfs/dbraw/zinc/95/83/56/1066958356.db2.gz KFQXTCKYWVPJFQ-AWQFTUOYSA-N 0 0 531.499 4.539 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000409206106 1066958065 /nfs/dbraw/zinc/95/80/65/1066958065.db2.gz MJJUFFVNBGFZQY-KHVWPYCOSA-N 0 0 552.823 4.667 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(=O)n2[C@H]1c1ccccc1Cl ZINC000409206109 1066958032 /nfs/dbraw/zinc/95/80/32/1066958032.db2.gz MJJUFFVNBGFZQY-KYSILRCISA-N 0 0 552.823 4.667 40 5 KJBBRN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409206140 1066958113 /nfs/dbraw/zinc/95/81/13/1066958113.db2.gz HSTZVSHKAVNZFI-FOKLQQMPSA-N 0 0 608.541 4.750 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409206245 1066957755 /nfs/dbraw/zinc/95/77/55/1066957755.db2.gz IQGLLVOQJJLRSJ-WPWMEQJKSA-N 0 0 588.642 4.568 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409206289 1066957977 /nfs/dbraw/zinc/95/79/77/1066957977.db2.gz SZODKGAJRQUGOU-CVKSISIWSA-N 0 0 635.611 4.816 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409206294 1066957993 /nfs/dbraw/zinc/95/79/93/1066957993.db2.gz TVWARZZEDBVZRX-XYGWBWBKSA-N 0 0 605.629 4.692 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409206334 1066958103 /nfs/dbraw/zinc/95/81/03/1066958103.db2.gz UTXCCAORJZZFFE-HZHRSRAPSA-N 0 0 552.996 4.893 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409206476 1066957710 /nfs/dbraw/zinc/95/77/10/1066957710.db2.gz OTXXIXDMKRUKOF-YDZHTSKRSA-N 0 0 503.536 4.784 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409206585 1066957694 /nfs/dbraw/zinc/95/76/94/1066957694.db2.gz XJKVSPQXYKTAQH-NGZBARDMSA-N 0 0 500.529 4.560 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409206586 1066336613 /nfs/dbraw/zinc/33/66/13/1066336613.db2.gz XJKVSPQXYKTAQH-VRCTWVPOSA-N 0 0 500.529 4.560 40 5 KJBBRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409206600 1066957616 /nfs/dbraw/zinc/95/76/16/1066957616.db2.gz XYCATDORBFXQHN-DJKKODMXSA-N 0 0 501.473 4.531 40 5 KJBBRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409206790 1066957684 /nfs/dbraw/zinc/95/76/84/1066957684.db2.gz PXJPTLBAMOVUEW-MTJSOVHGSA-N 0 0 538.513 4.995 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409206818 1066957281 /nfs/dbraw/zinc/95/72/81/1066957281.db2.gz LRVSESVTALQLSD-QLPFJNHISA-N 0 0 514.556 4.951 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409206820 1066957269 /nfs/dbraw/zinc/95/72/69/1066957269.db2.gz LRVSESVTALQLSD-QPNANDPSSA-N 0 0 514.556 4.951 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409206861 1066957249 /nfs/dbraw/zinc/95/72/49/1066957249.db2.gz QPTONRICNMQBDI-HYARGMPZSA-N 0 0 514.556 4.952 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409206897 1066957343 /nfs/dbraw/zinc/95/73/43/1066957343.db2.gz MZTLFNWFMVEGNX-ITYLOYPMSA-N 0 0 558.616 4.559 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409206938 1066957374 /nfs/dbraw/zinc/95/73/74/1066957374.db2.gz RIXYGFOKGSHAQX-CFRMEGHHSA-N 0 0 547.545 4.620 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409207030 1066957301 /nfs/dbraw/zinc/95/73/01/1066957301.db2.gz ZCKIVKNPRHVKBU-BUESGFEBSA-N 0 0 501.473 4.673 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409207031 1066957366 /nfs/dbraw/zinc/95/73/66/1066957366.db2.gz ZCKIVKNPRHVKBU-UZPSYVQNSA-N 0 0 501.473 4.673 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409207080 1066957332 /nfs/dbraw/zinc/95/73/32/1066957332.db2.gz OJJACOYMMIEWND-ZMOGYAJESA-N 0 0 547.545 4.620 40 5 KJBBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409207106 1066337069 /nfs/dbraw/zinc/33/70/69/1066337069.db2.gz RWMFKSJMXSSOCM-YBFXNURJSA-N 0 0 501.473 4.675 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409207171 1066206849 /nfs/dbraw/zinc/20/68/49/1066206849.db2.gz SRJKEWCNRNWFLP-WPWMEQJKSA-N 0 0 604.641 4.694 40 5 KJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409207217 1066956960 /nfs/dbraw/zinc/95/69/60/1066956960.db2.gz TZAXZWJJSSYHOO-WSDLNYQXSA-N 0 0 521.507 4.609 40 5 KJBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409207267 1066956982 /nfs/dbraw/zinc/95/69/82/1066956982.db2.gz VDHNXBHDPOOQNI-FMCGGJTJSA-N 0 0 535.534 4.918 40 5 KJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409207315 1066964663 /nfs/dbraw/zinc/96/46/63/1066964663.db2.gz RXCSIBOSUCJKGU-BUESGFEBSA-N 0 0 531.499 4.682 40 5 KJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409207317 1066964698 /nfs/dbraw/zinc/96/46/98/1066964698.db2.gz RXCSIBOSUCJKGU-UZPSYVQNSA-N 0 0 531.499 4.682 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409207357 1066964643 /nfs/dbraw/zinc/96/46/43/1066964643.db2.gz VPOGVSRUBULXSR-MFOYZWKCSA-N 0 0 530.440 4.874 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409207414 1066964417 /nfs/dbraw/zinc/96/44/17/1066964417.db2.gz WFQFHHGTGFNQBQ-FOKLQQMPSA-N 0 0 578.515 4.742 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409207635 1066964337 /nfs/dbraw/zinc/96/43/37/1066964337.db2.gz ZEJMHDDQSDOCPP-PCLIKHOPSA-N 0 0 589.586 4.680 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409207731 1066964374 /nfs/dbraw/zinc/96/43/74/1066964374.db2.gz YLQFXJFJHKUDRZ-MFKUBSTISA-N 0 0 605.585 4.807 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409208393 1066964364 /nfs/dbraw/zinc/96/43/64/1066964364.db2.gz BIOXIDMFPOBVSR-WSDLNYQXSA-N 0 0 660.396 4.848 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409209050 1066966576 /nfs/dbraw/zinc/96/65/76/1066966576.db2.gz FEVJTUDVLRKABI-SRZZPIQSSA-N 0 0 599.369 4.615 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409211010 1066966298 /nfs/dbraw/zinc/96/62/98/1066966298.db2.gz LSDJICNREBZTNM-SRZZPIQSSA-N 0 0 554.918 4.506 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409213162 1066965898 /nfs/dbraw/zinc/96/58/98/1066965898.db2.gz SVLMCTHCRISKAH-WSDLNYQXSA-N 0 0 568.945 4.896 40 5 KJBBRN O=C(CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O)Nc1ccccc1F ZINC000409213660 1066965548 /nfs/dbraw/zinc/96/55/48/1066965548.db2.gz UUULBGGIZPWSJF-MFKUBSTISA-N 0 0 540.507 4.998 40 5 KJBBRN O=C(CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F ZINC000409213674 1066965526 /nfs/dbraw/zinc/96/55/26/1066965526.db2.gz QFQNWMIAFJUZAO-CIAFOILYSA-N 0 0 569.343 4.607 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409214032 1066965455 /nfs/dbraw/zinc/96/54/55/1066965455.db2.gz XAOMMSVUFGRPPI-WSDLNYQXSA-N 0 0 568.945 4.896 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409214377 1066965362 /nfs/dbraw/zinc/96/53/62/1066965362.db2.gz UUQUTVUIMDAYAP-UFFVCSGVSA-N 0 0 599.369 4.615 40 5 KJBBRN O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1F ZINC000409214936 1066965476 /nfs/dbraw/zinc/96/54/76/1066965476.db2.gz VICICISGTUKQIG-CIAFOILYSA-N 0 0 569.343 4.607 40 5 KJBBRN O=C(CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O)Nc1ccccc1F ZINC000409215131 1066965079 /nfs/dbraw/zinc/96/50/79/1066965079.db2.gz WWACKCDQPROIIT-MFKUBSTISA-N 0 0 540.507 4.998 40 5 KJBBRN O=C(CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)Nc1ccccc1F ZINC000409216167 1066965060 /nfs/dbraw/zinc/96/50/60/1066965060.db2.gz IHEODWKWJSEHBQ-REZTVBANSA-N 0 0 519.272 4.832 40 5 KJBBRN O=C(CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1F ZINC000409216761 1066964683 /nfs/dbraw/zinc/96/46/83/1066964683.db2.gz OHRMUMMPLBDCHU-CIAFOILYSA-N 0 0 569.343 4.607 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409218695 1066972018 /nfs/dbraw/zinc/97/20/18/1066972018.db2.gz JTABOHONQMAJQA-NHDPSOOVSA-N 0 0 622.008 4.839 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409220435 1066971043 /nfs/dbraw/zinc/97/10/43/1066971043.db2.gz ZMCVLELGOXXXLA-QRVIBDJDSA-N 0 0 538.559 4.590 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409220654 1066970768 /nfs/dbraw/zinc/97/07/68/1066970768.db2.gz CUSZQEUVMIJHRI-OEAKJJBVSA-N 0 0 626.407 4.872 40 5 KJBBRN CCCN1C(=O)N/C(=C\c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O ZINC000409220960 1066970804 /nfs/dbraw/zinc/97/08/04/1066970804.db2.gz IKKVCCBGZSRCCN-VCHYOVAHSA-N 0 0 504.337 4.638 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409221292 1066970582 /nfs/dbraw/zinc/97/05/82/1066970582.db2.gz OBDDCOYZOMCSIM-BUVRLJJBSA-N 0 0 544.564 4.666 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409222466 1066207255 /nfs/dbraw/zinc/20/72/55/1066207255.db2.gz CXYYOSHIFQWQDU-UUASQNMZSA-N 0 0 514.716 4.825 40 5 KJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409222838 1066969357 /nfs/dbraw/zinc/96/93/57/1066969357.db2.gz DHXJZXMMXKVJER-CFRMEGHHSA-N 0 0 547.545 4.540 40 5 KJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409222983 1066969443 /nfs/dbraw/zinc/96/94/43/1066969443.db2.gz FTGRMRDQARSYDQ-CFRMEGHHSA-N 0 0 568.585 4.599 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409223263 1066969318 /nfs/dbraw/zinc/96/93/18/1066969318.db2.gz FAMQUUXYPSBSSN-LPYMAVHISA-N 0 0 580.981 4.766 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C2=O)cc1 ZINC000409227144 1066966546 /nfs/dbraw/zinc/96/65/46/1066966546.db2.gz PKSGCGCJGZKFRC-CIAFOILYSA-N 0 0 509.496 4.547 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409227458 1066974226 /nfs/dbraw/zinc/97/42/26/1066974226.db2.gz YVJPFEHIXQRECZ-RGVLZGJSSA-N 0 0 514.922 4.912 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409227467 1066338575 /nfs/dbraw/zinc/33/85/75/1066338575.db2.gz YTVDPSKMUAXPSW-ODLFYWEKSA-N 0 0 500.895 4.853 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409227619 1066974215 /nfs/dbraw/zinc/97/42/15/1066974215.db2.gz QWQIJNCZXMOTBX-YDZHTSKRSA-N 0 0 564.982 4.930 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409228380 1066973732 /nfs/dbraw/zinc/97/37/32/1066973732.db2.gz YCIMMRFHESCGIN-CIAFOILYSA-N 0 0 585.354 4.880 40 5 KJBBRN CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409228758 1066973176 /nfs/dbraw/zinc/97/31/76/1066973176.db2.gz DQIQWOUSFMRTPF-LICLKQGHSA-N 0 0 633.180 4.686 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409229797 1066972468 /nfs/dbraw/zinc/97/24/68/1066972468.db2.gz VDOKDGPQTZDAAK-PCLIKHOPSA-N 0 0 552.543 4.867 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 ZINC000409230240 1066978238 /nfs/dbraw/zinc/97/82/38/1066978238.db2.gz XQMFXZMKDUNCCA-WSDLNYQXSA-N 0 0 507.499 4.988 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409230389 1066978053 /nfs/dbraw/zinc/97/80/53/1066978053.db2.gz CRYUXUQVWSZNPM-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409231218 195506649 /nfs/dbraw/zinc/50/66/49/195506649.db2.gz IOMXNYHXUATQLL-FOKLQQMPSA-N 0 0 537.525 4.997 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409232033 1066977251 /nfs/dbraw/zinc/97/72/51/1066977251.db2.gz NNNVNKMGHHSXST-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN COCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409232110 1066977379 /nfs/dbraw/zinc/97/73/79/1066977379.db2.gz NBZILTMKTQDWHK-XDHOZWIPSA-N 0 0 584.388 4.860 40 5 KJBBRN CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000409233559 1066976725 /nfs/dbraw/zinc/97/67/25/1066976725.db2.gz SVSCQLHVYCGXMU-CXUHLZMHSA-N 0 0 525.153 4.611 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409234805 1066975906 /nfs/dbraw/zinc/97/59/06/1066975906.db2.gz MOVIXBSNBFHNAM-CIAFOILYSA-N 0 0 754.275 4.923 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409235167 1066975846 /nfs/dbraw/zinc/97/58/46/1066975846.db2.gz BFVZBJBJCTVIHK-OEAKJJBVSA-N 0 0 626.407 4.872 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409235970 1066975109 /nfs/dbraw/zinc/97/51/09/1066975109.db2.gz QWLFEJYLQNUMTD-XDHOZWIPSA-N 0 0 556.453 4.946 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409235973 1066975028 /nfs/dbraw/zinc/97/50/28/1066975028.db2.gz DPHDMUXKZKNQLN-MFKUBSTISA-N 0 0 523.549 4.692 40 5 KJBBRN CCCN1C(=O)N/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409235975 1066974905 /nfs/dbraw/zinc/97/49/05/1066974905.db2.gz DQFWBZZBSHPIAO-WOJGMQOQSA-N 0 0 504.337 4.638 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409237365 1066984336 /nfs/dbraw/zinc/98/43/36/1066984336.db2.gz WDUAEECBZRIPFR-PCLIKHOPSA-N 0 0 552.543 4.867 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409238050 1066339981 /nfs/dbraw/zinc/33/99/81/1066339981.db2.gz BUMJMLOEUIQNNU-CIAFOILYSA-N 0 0 754.275 4.923 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409238147 1066983894 /nfs/dbraw/zinc/98/38/94/1066983894.db2.gz VYSWTDTXFJSJNX-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)Nc1cccc(F)c1 ZINC000409238221 1066984012 /nfs/dbraw/zinc/98/40/12/1066984012.db2.gz MDDWTISWKJTASR-WSDLNYQXSA-N 0 0 507.499 4.988 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409238531 1066983490 /nfs/dbraw/zinc/98/34/90/1066983490.db2.gz KXYBKRUDHJKQLF-BUVRLJJBSA-N 0 0 544.564 4.666 40 5 KJBBRN CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409238728 1066983346 /nfs/dbraw/zinc/98/33/46/1066983346.db2.gz FKNDPIZXGSOMLS-LICLKQGHSA-N 0 0 633.180 4.686 40 5 KJBBRN COc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409238732 1066983470 /nfs/dbraw/zinc/98/34/70/1066983470.db2.gz BJGZRPWDGOBVFW-YBFXNURJSA-N 0 0 504.455 4.705 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409239307 1066983149 /nfs/dbraw/zinc/98/31/49/1066983149.db2.gz PIEVOEWYCXJXAY-WSDLNYQXSA-N 0 0 625.432 4.875 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409239621 1066982613 /nfs/dbraw/zinc/98/26/13/1066982613.db2.gz HSBOEBSUEXOIJI-KEBDBYFISA-N 0 0 524.486 4.605 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409239743 1066982763 /nfs/dbraw/zinc/98/27/63/1066982763.db2.gz QAUVJDFGOBKSSN-WSDLNYQXSA-N 0 0 625.432 4.875 40 5 KJBBRN COc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409240583 1066982219 /nfs/dbraw/zinc/98/22/19/1066982219.db2.gz LIPNTZCXFIRITH-YBFXNURJSA-N 0 0 504.455 4.705 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409241285 1066341624 /nfs/dbraw/zinc/34/16/24/1066341624.db2.gz QUCBXYUKNDVPML-FSJBWODESA-N 0 0 537.525 4.997 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409242638 1066981223 /nfs/dbraw/zinc/98/12/23/1066981223.db2.gz RWVKAYPGOAPTEO-LPYMAVHISA-N 0 0 625.432 4.875 40 5 KJBBRN COCCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409243627 1066980282 /nfs/dbraw/zinc/98/02/82/1066980282.db2.gz ZDROMUJRDXOACQ-XDHOZWIPSA-N 0 0 584.388 4.860 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409243927 1066980381 /nfs/dbraw/zinc/98/03/81/1066980381.db2.gz ZBHJBCJERFQVKB-YDZHTSKRSA-N 0 0 656.433 4.881 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409244000 1066980332 /nfs/dbraw/zinc/98/03/32/1066980332.db2.gz WCTAWRAQUUBIEZ-LPYMAVHISA-N 0 0 580.981 4.766 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409244252 1066980308 /nfs/dbraw/zinc/98/03/08/1066980308.db2.gz ACSZDMZWMVVBPK-YDZHTSKRSA-N 0 0 656.433 4.881 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409244525 1066979853 /nfs/dbraw/zinc/97/98/53/1066979853.db2.gz FACYXSQGQLVQKB-LPYMAVHISA-N 0 0 672.432 4.717 40 5 KJBBRN O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1 ZINC000409245133 1066340568 /nfs/dbraw/zinc/34/05/68/1066340568.db2.gz NWUNETLNSKXEEM-FYJGNVAPSA-N 0 0 555.328 4.871 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409245391 1066979445 /nfs/dbraw/zinc/97/94/45/1066979445.db2.gz SCEGZNHIQJOWQO-NDENLUEZSA-N 0 0 539.342 4.711 40 5 KJBBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000409245791 1066979136 /nfs/dbraw/zinc/97/91/36/1066979136.db2.gz ZDMPULUMMKNTSU-XDHOZWIPSA-N 0 0 554.362 4.851 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409245985 1066978933 /nfs/dbraw/zinc/97/89/33/1066978933.db2.gz CBCZVDSYHIYOHA-FSJBWODESA-N 0 0 537.525 4.997 40 5 KJBBRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409246338 1066979123 /nfs/dbraw/zinc/97/91/23/1066979123.db2.gz BGBNHMWFZPLNTG-WOJGMQOQSA-N 0 0 504.337 4.638 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409247030 1066978516 /nfs/dbraw/zinc/97/85/16/1066978516.db2.gz FYWAQPYGSFCZDJ-LPYMAVHISA-N 0 0 625.432 4.875 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409247985 1066341055 /nfs/dbraw/zinc/34/10/55/1066341055.db2.gz JEKJMHZYKDXAAZ-CAOOACKPSA-N 0 0 531.308 4.702 40 5 KJBBRN CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000409248153 1066986557 /nfs/dbraw/zinc/98/65/57/1066986557.db2.gz CGFQJYOLLADODQ-UHFFFAOYSA-N 0 0 548.415 4.898 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000409248528 1066986473 /nfs/dbraw/zinc/98/64/73/1066986473.db2.gz GYXJVNHVBKHJLV-UHFFFAOYSA-N 0 0 582.418 4.839 40 5 KJBBRN COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O ZINC000409249092 1066985959 /nfs/dbraw/zinc/98/59/59/1066985959.db2.gz SBNHKKFCWOEUQU-XDHOZWIPSA-N 0 0 554.362 4.851 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409249244 1066341095 /nfs/dbraw/zinc/34/10/95/1066341095.db2.gz JXMCAKBVKCDLSG-MFKUBSTISA-N 0 0 523.549 4.692 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409249396 1066985949 /nfs/dbraw/zinc/98/59/49/1066985949.db2.gz HUEZPPPDPNVWDO-UHFFFAOYSA-N 0 0 548.961 4.616 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 ZINC000409249598 1066985660 /nfs/dbraw/zinc/98/56/60/1066985660.db2.gz NPYDSOBRCWZJAX-WSDLNYQXSA-N 0 0 507.499 4.988 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409249961 1066341198 /nfs/dbraw/zinc/34/11/98/1066341198.db2.gz KJXONJAHZPHEOE-FBHDLOMBSA-N 0 0 637.570 4.772 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 ZINC000409250037 1066985569 /nfs/dbraw/zinc/98/55/69/1066985569.db2.gz VVCLHHJGBFQYDY-WSDLNYQXSA-N 0 0 507.499 4.988 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409250370 1066985041 /nfs/dbraw/zinc/98/50/41/1066985041.db2.gz KMYMKXNKHZFARL-YVNNLAQVSA-N 0 0 562.516 4.706 40 5 KJBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409250558 1066985165 /nfs/dbraw/zinc/98/51/65/1066985165.db2.gz XILKUFCXOVEXFX-CIAFOILYSA-N 0 0 585.354 4.880 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1cccc(F)c1 ZINC000409250886 1066985264 /nfs/dbraw/zinc/98/52/64/1066985264.db2.gz OQHPAMHZYRWQQM-WSDLNYQXSA-N 0 0 507.499 4.988 40 5 KJBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409251030 1066984587 /nfs/dbraw/zinc/98/45/87/1066984587.db2.gz ZOGXSCMWOSUHNW-YDZHTSKRSA-N 0 0 564.982 4.930 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl ZINC000409251811 1066992693 /nfs/dbraw/zinc/99/26/93/1066992693.db2.gz BSXXAZLELXVVIZ-UUYOSTAYSA-N 0 0 634.044 4.708 40 5 KJBBRN CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O ZINC000409251846 1066993286 /nfs/dbraw/zinc/99/32/86/1066993286.db2.gz QLZKAJIDJQLGLR-VCHYOVAHSA-N 0 0 504.337 4.638 40 5 KJBBRN COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000409252177 1066992816 /nfs/dbraw/zinc/99/28/16/1066992816.db2.gz CHNNPVKNQRIOLF-UHFFFAOYSA-N 0 0 534.388 4.508 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1Cl ZINC000409252908 1066992152 /nfs/dbraw/zinc/99/21/52/1066992152.db2.gz FKPKYGOQXQPSBO-MYKKPKGFSA-N 0 0 627.031 4.958 40 5 KJBBRN O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1 ZINC000409253375 1066991579 /nfs/dbraw/zinc/99/15/79/1066991579.db2.gz UEDUQXHUCYIZDX-FYJGNVAPSA-N 0 0 555.328 4.871 40 5 KJBBRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409254250 1066990321 /nfs/dbraw/zinc/99/03/21/1066990321.db2.gz WKYUFDZHJRBNKB-LPYMAVHISA-N 0 0 672.432 4.717 40 5 KJBBRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409256461 1066988387 /nfs/dbraw/zinc/98/83/87/1066988387.db2.gz LKERPYHNZOAKEW-UHFFFAOYSA-N 0 0 548.961 4.616 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409257196 1066987426 /nfs/dbraw/zinc/98/74/26/1066987426.db2.gz OVDRKWFHIVIFDJ-QRVIBDJDSA-N 0 0 547.545 4.806 40 5 KJBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000409258856 1067002046 /nfs/dbraw/zinc/00/20/46/1067002046.db2.gz WFKLTUUBOGMLLD-UHFFFAOYSA-N 0 0 524.780 4.845 40 5 KJBBRN COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000409259074 1067001513 /nfs/dbraw/zinc/00/15/13/1067001513.db2.gz ZLISFTABANBDIK-UHFFFAOYSA-N 0 0 534.388 4.508 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409260030 1067000705 /nfs/dbraw/zinc/00/07/05/1067000705.db2.gz JNIDFTUHLISGGF-MXAYSNPKSA-N 0 0 611.654 4.971 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409260181 1067000555 /nfs/dbraw/zinc/00/05/55/1067000555.db2.gz MCYRWAUNOBYTEC-BKUYFWCQSA-N 0 0 695.469 4.651 40 5 KJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)C2=O)cc1 ZINC000409261306 1066999567 /nfs/dbraw/zinc/99/95/67/1066999567.db2.gz CQURCEGZYJIHLA-YVNNLAQVSA-N 0 0 562.516 4.706 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409262267 1066998647 /nfs/dbraw/zinc/99/86/47/1066998647.db2.gz GKLBZSMYWREMEI-JMIUGGIZSA-N 0 0 607.544 4.763 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409263931 1066996946 /nfs/dbraw/zinc/99/69/46/1066996946.db2.gz CYZDAQDTBQKKRJ-UHFFFAOYSA-N 0 0 552.378 4.647 40 5 KJBBRN COc1c(I)cc(I)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409264472 1066996304 /nfs/dbraw/zinc/99/63/04/1066996304.db2.gz KKCZLIIUPOCLEO-FRKPEAEDSA-N 0 0 650.188 4.732 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409264485 1066996242 /nfs/dbraw/zinc/99/62/42/1066996242.db2.gz GASWDOBYIXZAAX-MXAYSNPKSA-N 0 0 611.654 4.971 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409265602 1066995892 /nfs/dbraw/zinc/99/58/92/1066995892.db2.gz UATJMMWTSSZVQL-FBHDLOMBSA-N 0 0 616.530 4.713 40 5 KJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409266661 1066994599 /nfs/dbraw/zinc/99/45/99/1066994599.db2.gz XSQILOUFSJOMCP-MSXFZWOLSA-N 0 0 613.582 4.507 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409266871 1066994115 /nfs/dbraw/zinc/99/41/15/1066994115.db2.gz LMVNQGZNUJAIAT-UCQKPKSFSA-N 0 0 547.545 4.806 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409267561 1066344392 /nfs/dbraw/zinc/34/43/92/1066344392.db2.gz NVZBUHORZCQTEA-MXAYSNPKSA-N 0 0 611.654 4.971 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409268805 1067008714 /nfs/dbraw/zinc/00/87/14/1067008714.db2.gz ASUUWSMWSNSGCU-ZVHZXABRSA-N 0 0 549.561 4.866 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409268976 1066345023 /nfs/dbraw/zinc/34/50/23/1066345023.db2.gz CFJOYWVBVMYQLO-RQZCQDPDSA-N 0 0 503.414 4.947 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409269068 1066344974 /nfs/dbraw/zinc/34/49/74/1066344974.db2.gz DNNMVLOYKUHAJJ-CVKSISIWSA-N 0 0 559.600 4.804 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)N1CCc2ccccc2C1 ZINC000409269244 1067008003 /nfs/dbraw/zinc/00/80/03/1067008003.db2.gz ABEGCBBLPAXGAS-MFKUBSTISA-N 0 0 529.574 4.795 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409269347 1067007927 /nfs/dbraw/zinc/00/79/27/1067007927.db2.gz HPMAUAVSJZMRRV-AWQFTUOYSA-N 0 0 542.476 4.744 40 5 KJBBRN Cc1ccc(NC(=O)COC(=O)c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409269512 1067007732 /nfs/dbraw/zinc/00/77/32/1067007732.db2.gz CJULOFXBZOGWNM-OYKKKHCWSA-N 0 0 559.556 4.618 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 ZINC000409269522 1067007670 /nfs/dbraw/zinc/00/76/70/1067007670.db2.gz CLBVOMWCZBYCGS-MYYYXRDXSA-N 0 0 529.574 4.795 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F ZINC000409269625 1067007606 /nfs/dbraw/zinc/00/76/06/1067007606.db2.gz DDLCNIYLFNBFIQ-VCHYOVAHSA-N 0 0 516.457 4.537 40 5 KJBBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1 ZINC000409269627 1067007776 /nfs/dbraw/zinc/00/77/76/1067007776.db2.gz DECZTZCYGSKGOY-HDFSHUSISA-N 0 0 604.729 4.730 40 5 KJBBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1 ZINC000409269629 1067007740 /nfs/dbraw/zinc/00/77/40/1067007740.db2.gz DECZTZCYGSKGOY-LAUBZIAYSA-N 0 0 604.729 4.730 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409269693 1067007660 /nfs/dbraw/zinc/00/76/60/1067007660.db2.gz LSRZHEPLRDRHRH-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409269751 1067007339 /nfs/dbraw/zinc/00/73/39/1067007339.db2.gz DIBHWAICQSIFSK-KEBDBYFISA-N 0 0 515.450 4.817 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409269781 1067007469 /nfs/dbraw/zinc/00/74/69/1067007469.db2.gz DQTFMSFUWLSFIL-WSDLNYQXSA-N 0 0 550.505 4.979 40 5 KJBBRN CCOC(=O)COc1c(Cl)cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409269788 1067007420 /nfs/dbraw/zinc/00/74/20/1067007420.db2.gz DTBWULMHGIZJDK-NVMNQCDNSA-N 0 0 539.349 4.763 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409269814 1067006979 /nfs/dbraw/zinc/00/69/79/1067006979.db2.gz FCPORGLPWVSOLH-UCQKPKSFSA-N 0 0 597.627 4.663 40 5 KJBBRN COc1ccccc1NC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409269817 1067007449 /nfs/dbraw/zinc/00/74/49/1067007449.db2.gz FDVHVQKLMHYJOU-OYKKKHCWSA-N 0 0 547.545 4.540 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409269832 1067007349 /nfs/dbraw/zinc/00/73/49/1067007349.db2.gz FICPXIDTFOFEDF-WSDLNYQXSA-N 0 0 580.531 4.988 40 5 KJBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409270045 1067006998 /nfs/dbraw/zinc/00/69/98/1067006998.db2.gz FLQHWGAVLSWOEI-GIJQJNRQSA-N 0 0 533.440 4.956 40 5 KJBBRN O=C(CN1C(=O)SC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270053 1067006948 /nfs/dbraw/zinc/00/69/48/1067006948.db2.gz FLXHSPNCTCSEAY-JAIQZWGSSA-N 0 0 506.452 4.610 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409270110 1067006677 /nfs/dbraw/zinc/00/66/77/1067006677.db2.gz FUXVWMXSNILUDV-QPJBPQEWSA-N 0 0 655.571 4.714 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409270113 1067007047 /nfs/dbraw/zinc/00/70/47/1067007047.db2.gz FUXVWMXSNILUDV-QTTRZTASSA-N 0 0 655.571 4.714 40 5 KJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409270124 1067006971 /nfs/dbraw/zinc/00/69/71/1067006971.db2.gz FWHLRGJZDXMUOK-XKZIYDEJSA-N 0 0 589.003 4.944 40 5 KJBBRN CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409270129 1067006939 /nfs/dbraw/zinc/00/69/39/1067006939.db2.gz FXOFHVXWDJRBHO-LPYMAVHISA-N 0 0 568.995 4.950 40 5 KJBBRN CCOc1ccccc1NC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409270170 1067006686 /nfs/dbraw/zinc/00/66/86/1067006686.db2.gz GGONFOZKNWEVTF-CVKSISIWSA-N 0 0 591.598 4.939 40 5 KJBBRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3nc(Cl)ncc3F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409270220 1067006552 /nfs/dbraw/zinc/00/65/52/1067006552.db2.gz GMFJWIJNYJGJNI-GIJQJNRQSA-N 0 0 514.878 4.889 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(F)cc1F ZINC000409270246 1066346838 /nfs/dbraw/zinc/34/68/38/1066346838.db2.gz OAZAAHFBJFJFIV-OCKHKDLRSA-N 0 0 512.450 4.735 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409270322 1067006695 /nfs/dbraw/zinc/00/66/95/1067006695.db2.gz PGXGLQVWSGZHPB-ACJNQYEBSA-N 0 0 604.729 4.732 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409270323 1067006616 /nfs/dbraw/zinc/00/66/16/1067006616.db2.gz PGXGLQVWSGZHPB-HSUOJCLFSA-N 0 0 604.729 4.732 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409270499 1067006563 /nfs/dbraw/zinc/00/65/63/1067006563.db2.gz GUUBGNDMNFXUEU-ABBNRAPFSA-N 0 0 592.743 4.665 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(SC)cc1 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COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409271900 1067004842 /nfs/dbraw/zinc/00/48/42/1067004842.db2.gz DVHKRUWYYNPRHA-JMIUGGIZSA-N 0 0 542.476 4.744 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409272106 1067004441 /nfs/dbraw/zinc/00/44/41/1067004441.db2.gz LPISCNSEEIRKBH-YVNNLAQVSA-N 0 0 589.554 4.624 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)N1CCc2ccccc2C1 ZINC000409272108 1067004409 /nfs/dbraw/zinc/00/44/09/1067004409.db2.gz LPUMRUZPPSIASB-MFKUBSTISA-N 0 0 529.574 4.795 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409272119 1067004334 /nfs/dbraw/zinc/00/43/34/1067004334.db2.gz OQHDFSWCPJGJLF-RMORIDSASA-N 0 0 619.580 4.633 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409272168 1067004477 /nfs/dbraw/zinc/00/44/77/1067004477.db2.gz MBNKOPVGRPWZLK-MXAYSNPKSA-N 0 0 590.614 4.913 40 5 KJBBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)c(Cl)c1 ZINC000409272304 1067004106 /nfs/dbraw/zinc/00/41/06/1067004106.db2.gz YBKZXBMKEWPCMV-UHFFFAOYSA-N 0 0 524.780 4.845 40 5 KJBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)CC1 ZINC000409272313 1067003981 /nfs/dbraw/zinc/00/39/81/1067003981.db2.gz GCQOPYKPTZYDSA-CIAFOILYSA-N 0 0 526.527 4.590 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409272355 1067004029 /nfs/dbraw/zinc/00/40/29/1067004029.db2.gz GGGWQDBMVLSALU-MFCBUNOESA-N 0 0 655.571 4.714 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409272358 1066347751 /nfs/dbraw/zinc/34/77/51/1066347751.db2.gz GGGWQDBMVLSALU-SUAMDDGLSA-N 0 0 655.571 4.714 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000409272632 1067003743 /nfs/dbraw/zinc/00/37/43/1067003743.db2.gz NQMLJCFGAHIJNR-CIAFOILYSA-N 0 0 509.496 4.547 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409272641 1067003625 /nfs/dbraw/zinc/00/36/25/1067003625.db2.gz NSZQJBBDQOCASR-LPYMAVHISA-N 0 0 526.548 4.920 40 5 KJBBRN COc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409272764 1067003699 /nfs/dbraw/zinc/00/36/99/1067003699.db2.gz GZDGJUWEIGFUBZ-SRZZPIQSSA-N 0 0 509.452 4.691 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409272895 1067015574 /nfs/dbraw/zinc/01/55/74/1067015574.db2.gz HYKXZLKYVJEPNT-DHRITJCHSA-N 0 0 590.570 4.925 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000409272946 1067014026 /nfs/dbraw/zinc/01/40/26/1067014026.db2.gz IJCZROMBCPPNSV-OEAKJJBVSA-N 0 0 519.535 4.857 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409273015 1067013897 /nfs/dbraw/zinc/01/38/97/1067013897.db2.gz PBIJBFNTPUPUBM-MKWGYRPRSA-N 0 0 581.094 4.596 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409273017 1067013929 /nfs/dbraw/zinc/01/39/29/1067013929.db2.gz PBIJBFNTPUPUBM-OCEWKHMESA-N 0 0 581.094 4.596 40 5 KJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409273133 1067015145 /nfs/dbraw/zinc/01/51/45/1067015145.db2.gz PWEURNUOEDGBGN-AFUMVMLFSA-N 0 0 561.572 4.849 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273167 1067015342 /nfs/dbraw/zinc/01/53/42/1067015342.db2.gz IRQLTEOYGKRMFW-ACJNQYEBSA-N 0 0 604.729 4.732 40 5 KJBBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273168 1067015203 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JYFHGLKXMZMSDB-UNDLXJOSSA-N 0 0 634.755 4.740 40 5 KJBBRN COc1ccccc1NC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409273653 1067013443 /nfs/dbraw/zinc/01/34/43/1067013443.db2.gz KNVNULGTPJNHCN-QFEZKATASA-N 0 0 577.571 4.549 40 5 KJBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c1 ZINC000409273687 1067013233 /nfs/dbraw/zinc/01/32/33/1067013233.db2.gz LAYDERVGIORIEO-CFRMEGHHSA-N 0 0 581.628 4.963 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409273708 1066348275 /nfs/dbraw/zinc/34/82/75/1066348275.db2.gz LLTLGQNWALGDKO-UCQKPKSFSA-N 0 0 597.627 4.663 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409273721 1067013242 /nfs/dbraw/zinc/01/32/42/1067013242.db2.gz RRSRVGBHRBNVRM-BUVRLJJBSA-N 0 0 539.610 4.867 40 5 KJBBRN COc1ccc(C(=O)Oc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409273760 1067013305 /nfs/dbraw/zinc/01/33/05/1067013305.db2.gz SGMLFHKQCQJLCP-OEAKJJBVSA-N 0 0 518.503 4.742 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273765 1067013199 /nfs/dbraw/zinc/01/31/99/1067013199.db2.gz SHXDIMGUSJZZOU-QPJBPQEWSA-N 0 0 595.121 4.985 40 5 KJBBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)sc2=N1 ZINC000409273766 1067013217 /nfs/dbraw/zinc/01/32/17/1067013217.db2.gz SHXDIMGUSJZZOU-QTTRZTASSA-N 0 0 595.121 4.985 40 5 KJBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)CC1 ZINC000409273865 1067013275 /nfs/dbraw/zinc/01/32/75/1067013275.db2.gz MFMHWGVGNNMIJX-OYKKKHCWSA-N 0 0 518.595 4.893 40 5 KJBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409273936 1067013011 /nfs/dbraw/zinc/01/30/11/1067013011.db2.gz AJTCLTUQJBXZJD-HYARGMPZSA-N 0 0 506.540 4.518 40 5 KJBBRN O=C(Cn1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000409274020 1067012816 /nfs/dbraw/zinc/01/28/16/1067012816.db2.gz TUHIDPMUAKCYHM-RAWMCFOBSA-N 0 0 584.566 4.836 40 5 KJBBRN COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000409274083 1066348712 /nfs/dbraw/zinc/34/87/12/1066348712.db2.gz UYZQTTRRCITDNE-CIAFOILYSA-N 0 0 554.968 4.560 40 5 KJBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)CC1 ZINC000409274097 1066348766 /nfs/dbraw/zinc/34/87/66/1066348766.db2.gz VIUVHOKMOMKCIG-CIAFOILYSA-N 0 0 526.527 4.590 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409274251 1067012469 /nfs/dbraw/zinc/01/24/69/1067012469.db2.gz CIGYDVSRRKLQHR-FSJBWODESA-N 0 0 580.531 4.988 40 5 KJBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCCOc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274284 1067012513 /nfs/dbraw/zinc/01/25/13/1067012513.db2.gz OLYYFVYERJHGQH-LFVJCYFKSA-N 0 0 504.520 4.972 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409274309 1067012533 /nfs/dbraw/zinc/01/25/33/1067012533.db2.gz VOXDLEKJCGPDMW-MXAYSNPKSA-N 0 0 590.614 4.913 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 ZINC000409274332 1067012479 /nfs/dbraw/zinc/01/24/79/1067012479.db2.gz VYNUIALISYMYNH-ZMOGYAJESA-N 0 0 560.544 4.917 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409274334 1066348590 /nfs/dbraw/zinc/34/85/90/1066348590.db2.gz VYTKQJGGNOELDY-LPYMAVHISA-N 0 0 505.508 4.862 40 5 KJBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000409274543 1067011973 /nfs/dbraw/zinc/01/19/73/1067011973.db2.gz PJCZDKCIRRWNCG-VCHYOVAHSA-N 0 0 521.345 4.684 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409274589 1067012294 /nfs/dbraw/zinc/01/22/94/1067012294.db2.gz QARMTVAWXWIHKQ-NDENLUEZSA-N 0 0 512.931 4.723 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409274720 1066349109 /nfs/dbraw/zinc/34/91/09/1066349109.db2.gz XAQNHZBYLNLIBS-WSDLNYQXSA-N 0 0 556.553 4.599 40 5 KJBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCCOc3ccccc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409274745 1067011918 /nfs/dbraw/zinc/01/19/18/1067011918.db2.gz XHCSMCALIKKVPR-LFVJCYFKSA-N 0 0 504.520 4.972 40 5 KJBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OC ZINC000409274764 1066219047 /nfs/dbraw/zinc/21/90/47/1066219047.db2.gz XNCUIOZOSIBUKF-VCHYOVAHSA-N 0 0 568.345 4.526 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409274766 1067011950 /nfs/dbraw/zinc/01/19/50/1067011950.db2.gz XPABLRXETQJBPM-FHMSYZJOSA-N 0 0 608.164 4.902 40 5 KJBBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409274767 1066348998 /nfs/dbraw/zinc/34/89/98/1066348998.db2.gz XPABLRXETQJBPM-OXWVMCNISA-N 0 0 608.164 4.902 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1Cl ZINC000409274771 1067012006 /nfs/dbraw/zinc/01/20/06/1067012006.db2.gz XQSSERQIVIGQCH-CIAFOILYSA-N 0 0 526.958 4.782 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409274772 1067011984 /nfs/dbraw/zinc/01/19/84/1067011984.db2.gz XQTOBVXWQUUBLT-UCQKPKSFSA-N 0 0 519.535 4.857 40 5 KJBBRN Cc1ccccc1NC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409274780 1066349029 /nfs/dbraw/zinc/34/90/29/1066349029.db2.gz XSKGBFDZVNTYQP-OYKKKHCWSA-N 0 0 531.546 4.840 40 5 KJBBRN Cc1ccc(NC(=O)COc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409274793 1067011929 /nfs/dbraw/zinc/01/19/29/1067011929.db2.gz XYNDDJWCNVRTLN-ZVHZXABRSA-N 0 0 531.546 4.840 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409274905 1067011871 /nfs/dbraw/zinc/01/18/71/1067011871.db2.gz GSBSXRZJAWKRSI-BUVRLJJBSA-N 0 0 539.610 4.867 40 5 KJBBRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409274970 1067011672 /nfs/dbraw/zinc/01/16/72/1067011672.db2.gz RPMNWILOSVAUPZ-BUVRLJJBSA-N 0 0 539.610 4.867 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000409275147 1067011586 /nfs/dbraw/zinc/01/15/86/1067011586.db2.gz ZCHXNZYTVCVFDG-SRZZPIQSSA-N 0 0 509.452 4.691 40 5 KJBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c1C ZINC000409275212 1067011208 /nfs/dbraw/zinc/01/12/08/1067011208.db2.gz ZNGVTAVWWAPTEZ-CFRMEGHHSA-N 0 0 581.628 4.963 40 5 KJBBRN COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409275306 1067011231 /nfs/dbraw/zinc/01/12/31/1067011231.db2.gz UGRXBYWXJDFZKV-CIAFOILYSA-N 0 0 556.553 4.599 40 5 KJBBRN CCOC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000409275467 1066349523 /nfs/dbraw/zinc/34/95/23/1066349523.db2.gz JNECJKVJJBZKLQ-LPYMAVHISA-N 0 0 506.492 4.951 40 5 KJBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409275495 1067011120 /nfs/dbraw/zinc/01/11/20/1067011120.db2.gz VGIJNQJSROQAGC-APSNUPSMSA-N 0 0 526.752 4.694 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409275594 1067014962 /nfs/dbraw/zinc/01/49/62/1067014962.db2.gz KJNCLDYQAOEJJS-UCQKPKSFSA-N 0 0 597.627 4.663 40 5 KJBBRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC ZINC000409275757 1066349617 /nfs/dbraw/zinc/34/96/17/1066349617.db2.gz WOAURZXREORZLG-YBFXNURJSA-N 0 0 582.372 4.916 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 ZINC000409275828 1067010935 /nfs/dbraw/zinc/01/09/35/1067010935.db2.gz XGWUJPBPZOZAQE-ZMOGYAJESA-N 0 0 560.544 4.917 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409276011 1067010447 /nfs/dbraw/zinc/01/04/47/1067010447.db2.gz NWDPTXRIOVUSMS-WSDLNYQXSA-N 0 0 550.505 4.979 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409276043 1067010810 /nfs/dbraw/zinc/01/08/10/1067010810.db2.gz XSYYRCGUPAGKOJ-ZDLGFXPLSA-N 0 0 560.466 4.883 40 5 KJBBRN CCCOc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409276079 1066349574 /nfs/dbraw/zinc/34/95/74/1066349574.db2.gz YGVCTBMKEJHXER-ODLFYWEKSA-N 0 0 582.372 4.916 40 5 KJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409276083 1067010580 /nfs/dbraw/zinc/01/05/80/1067010580.db2.gz YHPSEQWLVSTSBF-SRZZPIQSSA-N 0 0 536.478 4.618 40 5 KJBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c1 ZINC000409276214 1067010565 /nfs/dbraw/zinc/01/05/65/1067010565.db2.gz PCLFYPRHPYTCKV-CFRMEGHHSA-N 0 0 581.628 4.963 40 5 KJBBRN Cc1cccc(NC(=O)COc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 ZINC000409276260 1067010617 /nfs/dbraw/zinc/01/06/17/1067010617.db2.gz ZPPKVYJGLFSDMM-ZVHZXABRSA-N 0 0 531.546 4.840 40 5 KJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)o1 ZINC000409276288 1067010524 /nfs/dbraw/zinc/01/05/24/1067010524.db2.gz PGCLPDXKYXQSHS-GIJQJNRQSA-N 0 0 533.440 4.956 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409276638 1067014549 /nfs/dbraw/zinc/01/45/49/1067014549.db2.gz UOGYXGUATHIIMV-RMORIDSASA-N 0 0 598.540 4.574 40 5 KJBBRN CCOc1c(I)cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409276696 1066207435 /nfs/dbraw/zinc/20/74/35/1066207435.db2.gz VGLMYBWJHXOCCH-VCHYOVAHSA-N 0 0 568.345 4.526 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409276795 1067014657 /nfs/dbraw/zinc/01/46/57/1067014657.db2.gz WNHSXHBHRPUMPV-CVKSISIWSA-N 0 0 559.600 4.804 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409276899 1067014181 /nfs/dbraw/zinc/01/41/81/1067014181.db2.gz XTRXVDACDHUBKU-ZVHZXABRSA-N 0 0 549.561 4.866 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409276902 1067014378 /nfs/dbraw/zinc/01/43/78/1067014378.db2.gz XVGWBXBNHKASPA-GKTKDVHMSA-N 0 0 685.597 4.723 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409276903 1067014200 /nfs/dbraw/zinc/01/42/00/1067014200.db2.gz XVGWBXBNHKASPA-WQNUKSJVSA-N 0 0 685.597 4.723 40 5 KJBBRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409276959 1067014526 /nfs/dbraw/zinc/01/45/26/1067014526.db2.gz YLJHDUUMQIOVBM-MTJSOVHGSA-N 0 0 536.478 4.618 40 5 KJBBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409277120 1066345797 /nfs/dbraw/zinc/34/57/97/1066345797.db2.gz ZGIBQIYKXQPOAT-WSDLNYQXSA-N 0 0 550.505 4.979 40 5 KJBBRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2)cc1Br ZINC000409301068 1067035764 /nfs/dbraw/zinc/03/57/64/1067035764.db2.gz CTJAUPGDLUTYQW-UHFFFAOYSA-N 0 0 548.415 4.817 40 5 KJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2c(F)cccc2Cl)cc1 ZINC000409302212 1067035074 /nfs/dbraw/zinc/03/50/74/1067035074.db2.gz IAPYTZCTIVZNGI-UHFFFAOYSA-N 0 0 505.955 4.834 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409304260 1067033565 /nfs/dbraw/zinc/03/35/65/1067033565.db2.gz QPISLVJLQRLBFD-UHFFFAOYSA-N 0 0 523.489 4.765 40 5 KJBBRN COc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409311557 1067040732 /nfs/dbraw/zinc/04/07/32/1067040732.db2.gz AODYEDYOQLRUDE-UHFFFAOYSA-N 0 0 584.832 4.862 40 5 KJBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Br)cc2)cc1 ZINC000409312060 1067040504 /nfs/dbraw/zinc/04/05/04/1067040504.db2.gz JRAOVMUSNVFHMJ-UHFFFAOYSA-N 0 0 532.416 4.804 40 5 KJBBRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409312703 1067040214 /nfs/dbraw/zinc/04/02/14/1067040214.db2.gz GXEUGUNXEMHOSV-UHFFFAOYSA-N 0 0 589.070 4.929 40 5 KJBBRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409322525 1067047104 /nfs/dbraw/zinc/04/71/04/1067047104.db2.gz LQVKIKVIUSEGAO-UHFFFAOYSA-N 0 0 575.043 4.539 40 5 KJBBRN Cc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000409325411 1067045265 /nfs/dbraw/zinc/04/52/65/1067045265.db2.gz YMMJPGSBYOQPIY-UHFFFAOYSA-N 0 0 532.416 4.804 40 5 KJBBRN CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000409326006 1067044674 /nfs/dbraw/zinc/04/46/74/1067044674.db2.gz FNFZJQPYMVNYHJ-UHFFFAOYSA-N 0 0 548.415 4.898 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409328354 1067055513 /nfs/dbraw/zinc/05/55/13/1067055513.db2.gz SUQOUMYOHJIAOG-FMCGGJTJSA-N 0 0 688.456 4.901 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1Br ZINC000409330867 1066357911 /nfs/dbraw/zinc/35/79/11/1066357911.db2.gz NGZOALQBDFUIFB-UDWIEESQSA-N 0 0 541.383 4.882 40 5 KJBBRN O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409331306 1066358062 /nfs/dbraw/zinc/35/80/62/1066358062.db2.gz AHJAQGLFVQIXKH-UHFFFAOYSA-N 0 0 592.688 4.701 40 5 KJBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4Cc4ccccc4)cc3s2)c([N+](=O)[O-])c1 ZINC000409331334 1067054469 /nfs/dbraw/zinc/05/44/69/1067054469.db2.gz BCIJIOZTGKCKCO-UHFFFAOYSA-N 0 0 622.714 4.710 40 5 KJBBRN COc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 ZINC000409331352 1066357894 /nfs/dbraw/zinc/35/78/94/1066357894.db2.gz BOPQWAMXPMUCSH-UHFFFAOYSA-N 0 0 520.548 4.745 40 5 KJBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1 ZINC000409331359 1066357983 /nfs/dbraw/zinc/35/79/83/1066357983.db2.gz BRNYFVJYKIXAQD-UHFFFAOYSA-N 0 0 607.670 4.669 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409331908 1067053802 /nfs/dbraw/zinc/05/38/02/1067053802.db2.gz DZYDTFJPGYSMMX-DKOMQPSQSA-N 0 0 594.989 4.528 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409331909 1067054012 /nfs/dbraw/zinc/05/40/12/1067054012.db2.gz DZYDTFJPGYSMMX-IZBTWGKQSA-N 0 0 594.989 4.528 40 5 KJBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 ZINC000409331924 1067053534 /nfs/dbraw/zinc/05/35/34/1067053534.db2.gz FLPQWKCWDKBTLU-GOSISDBHSA-N 0 0 507.598 4.992 40 5 KJBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 ZINC000409331927 1067053650 /nfs/dbraw/zinc/05/36/50/1067053650.db2.gz FLPQWKCWDKBTLU-SFHVURJKSA-N 0 0 507.598 4.992 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409332134 1067053484 /nfs/dbraw/zinc/05/34/84/1067053484.db2.gz GWFFBVDZAFCAEN-AFHVAHMMSA-N 0 0 556.021 4.681 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409332138 1067053338 /nfs/dbraw/zinc/05/33/38/1067053338.db2.gz GWFFBVDZAFCAEN-ZRELAVNMSA-N 0 0 556.021 4.681 40 5 KJBBRN COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000409332227 1067053604 /nfs/dbraw/zinc/05/36/04/1067053604.db2.gz CUXDAXLMUSWKNQ-HOTGVXAUSA-N 0 0 526.596 4.624 40 5 KJBBRN COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000409332232 1067053418 /nfs/dbraw/zinc/05/34/18/1067053418.db2.gz CUXDAXLMUSWKNQ-HZPDHXFCSA-N 0 0 526.596 4.624 40 5 KJBBRN COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000409332238 1067053434 /nfs/dbraw/zinc/05/34/34/1067053434.db2.gz CUXDAXLMUSWKNQ-IYBDPMFKSA-N 0 0 526.596 4.624 40 5 KJBBRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409332489 1067053502 /nfs/dbraw/zinc/05/35/02/1067053502.db2.gz FZXQNMYAQZHKTN-UHFFFAOYSA-N 0 0 577.644 4.660 40 5 KJBBRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409333397 1067052800 /nfs/dbraw/zinc/05/28/00/1067052800.db2.gz GWWPXJSAJRNACM-JOCHJYFZSA-N 0 0 511.556 4.916 40 5 KJBBRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409333406 1067052763 /nfs/dbraw/zinc/05/27/63/1067052763.db2.gz GWWPXJSAJRNACM-QFIPXVFZSA-N 0 0 511.556 4.916 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409333543 1067052260 /nfs/dbraw/zinc/05/22/60/1067052260.db2.gz KIAWTLBBVBRJLZ-IGSWSUAKSA-N 0 0 594.443 4.729 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000409333547 1067052205 /nfs/dbraw/zinc/05/22/05/1067052205.db2.gz KIAWTLBBVBRJLZ-YMSBRDKKSA-N 0 0 594.443 4.729 40 5 KJBBRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000409333713 1067052384 /nfs/dbraw/zinc/05/23/84/1067052384.db2.gz IQRDSDVSMKQXJR-UHFFFAOYSA-N 0 0 577.644 4.660 40 5 KJBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCN(c2ccccn2)CC1 ZINC000409335239 1067050939 /nfs/dbraw/zinc/05/09/39/1067050939.db2.gz KKNBKXRWHPJVHL-UHFFFAOYSA-N 0 0 502.607 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@H]1c1ccccc1 ZINC000409335329 1067050880 /nfs/dbraw/zinc/05/08/80/1067050880.db2.gz VKBDJWBDODUGIH-PKYOQBLNSA-N 0 0 599.665 4.793 40 5 KJBBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])sc2=N[C@@H]1c1ccccc1 ZINC000409335330 1067050922 /nfs/dbraw/zinc/05/09/22/1067050922.db2.gz VKBDJWBDODUGIH-USDTVRPUSA-N 0 0 599.665 4.793 40 5 KJBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccccc1F ZINC000409336892 1067055970 /nfs/dbraw/zinc/05/59/70/1067055970.db2.gz QWSZHMPYWVQYGR-UHFFFAOYSA-N 0 0 508.512 4.875 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409337161 1067055919 /nfs/dbraw/zinc/05/59/19/1067055919.db2.gz YGYFLPPZMQMNNU-UTWPHBJQSA-N 0 0 671.469 4.585 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409337163 1067056128 /nfs/dbraw/zinc/05/61/28/1067056128.db2.gz YGYFLPPZMQMNNU-VPVLBGOXSA-N 0 0 671.469 4.585 40 5 KJBBRN O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000409337432 1067064713 /nfs/dbraw/zinc/06/47/13/1067064713.db2.gz UBHHOIWBANLFGC-GASCZTMLSA-N 0 0 514.560 4.754 40 5 KJBBRN O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000409337435 1066207449 /nfs/dbraw/zinc/20/74/49/1066207449.db2.gz UBHHOIWBANLFGC-GJZGRUSLSA-N 0 0 514.560 4.754 40 5 KJBBRN O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000409337437 1067064634 /nfs/dbraw/zinc/06/46/34/1067064634.db2.gz UBHHOIWBANLFGC-HUUCEWRRSA-N 0 0 514.560 4.754 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409337482 1067064252 /nfs/dbraw/zinc/06/42/52/1067064252.db2.gz UIRLTQHNPWFMGX-OIUASMPBSA-N 0 0 659.717 4.701 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409337484 1067064355 /nfs/dbraw/zinc/06/43/55/1067064355.db2.gz UIRLTQHNPWFMGX-QQMBNGEASA-N 0 0 659.717 4.701 40 5 KJBBRN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSC(=S)N4CCCC4)cc3s2)c([N+](=O)[O-])c1 ZINC000409337486 1067064015 /nfs/dbraw/zinc/06/40/15/1067064015.db2.gz UIWYTJZOTXALHC-UHFFFAOYSA-N 0 0 577.735 4.996 40 5 KJBBRN COc1ccc(OC)c(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 ZINC000409337769 1067063821 /nfs/dbraw/zinc/06/38/21/1067063821.db2.gz VFRWKWHWNXZKJR-UHFFFAOYSA-N 0 0 550.574 4.753 40 5 KJBBRN O=C(CSC(=S)N1CCCC1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000409337772 1067063508 /nfs/dbraw/zinc/06/35/08/1067063508.db2.gz VIOCEPNRDQRVAG-UHFFFAOYSA-N 0 0 547.709 4.988 40 5 KJBBRN COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000409337776 1067063692 /nfs/dbraw/zinc/06/36/92/1067063692.db2.gz VJZPQZFSEQQRLQ-UHFFFAOYSA-N 0 0 565.545 4.653 40 5 KJBBRN O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409337927 1067063744 /nfs/dbraw/zinc/06/37/44/1067063744.db2.gz ZQCDXAOXXVIIDQ-UHFFFAOYSA-N 0 0 535.519 4.644 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(I)cc1 ZINC000409339156 1067063124 /nfs/dbraw/zinc/06/31/24/1067063124.db2.gz SJPVUQYGESEOCF-NVNXTCNLSA-N 0 0 543.726 4.528 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 ZINC000409339199 1067063038 /nfs/dbraw/zinc/06/30/38/1067063038.db2.gz FNVJIFNGSJMNPY-NVNXTCNLSA-N 0 0 588.177 4.637 40 5 KJBBRN O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 ZINC000409339218 1067063371 /nfs/dbraw/zinc/06/33/71/1067063371.db2.gz SWVHZJQEDXKMRI-UDWIEESQSA-N 0 0 588.383 4.724 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 ZINC000409340397 1067062261 /nfs/dbraw/zinc/06/22/61/1067062261.db2.gz WLZUTCKJBUZESV-UNOMPAQXSA-N 0 0 574.356 4.665 40 5 KJBBRN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409340677 1067062457 /nfs/dbraw/zinc/06/24/57/1067062457.db2.gz AHFPPQJKXPEXCN-JTQLQIEISA-N 0 0 543.820 4.905 40 5 KJBBRN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409340681 1067062300 /nfs/dbraw/zinc/06/23/00/1067062300.db2.gz AHFPPQJKXPEXCN-SNVBAGLBSA-N 0 0 543.820 4.905 40 5 KJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1C ZINC000409340941 1067062284 /nfs/dbraw/zinc/06/22/84/1067062284.db2.gz CMUVXIVXVRAWJE-UHFFFAOYSA-N 0 0 502.350 4.938 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C ZINC000409341054 1067061997 /nfs/dbraw/zinc/06/19/97/1067061997.db2.gz CFPHVSHOTRJPCH-FQEVSTJZSA-N 0 0 531.038 4.933 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C ZINC000409341058 1067061826 /nfs/dbraw/zinc/06/18/26/1067061826.db2.gz CFPHVSHOTRJPCH-HXUWFJFHSA-N 0 0 531.038 4.933 40 5 KJBBRN CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409342530 1067060492 /nfs/dbraw/zinc/06/04/92/1067060492.db2.gz GTFAMDDHQZYQDY-UHFFFAOYSA-N 0 0 543.820 4.827 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409343274 1067059849 /nfs/dbraw/zinc/05/98/49/1067059849.db2.gz DTEWNTCJROLGSS-MGSPXPDISA-N 0 0 533.993 4.513 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409343276 1067059658 /nfs/dbraw/zinc/05/96/58/1067059658.db2.gz DTEWNTCJROLGSS-XPCGLTFESA-N 0 0 533.993 4.513 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409343944 1067059226 /nfs/dbraw/zinc/05/92/26/1067059226.db2.gz IJCVVOYTWOYOHD-LCQSEVKBSA-N 0 0 614.636 4.502 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409343951 1067059404 /nfs/dbraw/zinc/05/94/04/1067059404.db2.gz IJCVVOYTWOYOHD-UQDCTOEPSA-N 0 0 614.636 4.502 40 5 KJBBRN CCCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(C)c([N+](=O)[O-])c1)C(C(=O)OCC)=C(C)N=2 ZINC000409344760 1067058562 /nfs/dbraw/zinc/05/85/62/1067058562.db2.gz KHEIJPVLWZCXLS-RGFRMHDHSA-N 0 0 571.655 4.957 40 5 KJBBRN CCCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(C)c([N+](=O)[O-])c1)C(C(=O)OCC)=C(C)N=2 ZINC000409344764 1066359215 /nfs/dbraw/zinc/35/92/15/1066359215.db2.gz KHEIJPVLWZCXLS-XQNWCSQWSA-N 0 0 571.655 4.957 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409344929 1067058283 /nfs/dbraw/zinc/05/82/83/1067058283.db2.gz LPPVNLJJOXJJBV-JBDHCHCMSA-N 0 0 614.636 4.502 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409344935 1067058062 /nfs/dbraw/zinc/05/80/62/1067058062.db2.gz LPPVNLJJOXJJBV-PIXWUVMMSA-N 0 0 614.636 4.502 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br ZINC000409346021 1067057361 /nfs/dbraw/zinc/05/73/61/1067057361.db2.gz NBMNPPLKGWXVQR-UNOMPAQXSA-N 0 0 527.356 4.823 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409346148 1067057389 /nfs/dbraw/zinc/05/73/89/1067057389.db2.gz LESQFEADADQBEH-KEPJHFNWSA-N 0 0 583.666 4.902 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409346156 1067057353 /nfs/dbraw/zinc/05/73/53/1067057353.db2.gz LESQFEADADQBEH-MIUGUJGPSA-N 0 0 583.666 4.902 40 5 KJBBRN O=C(COc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 ZINC000409346505 1067057402 /nfs/dbraw/zinc/05/74/02/1067057402.db2.gz LDWMNKIOZLVGAG-OEAKJJBVSA-N 0 0 517.519 4.532 40 5 KJBBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)cc2)cc1[N+](=O)[O-] ZINC000409346668 1067056831 /nfs/dbraw/zinc/05/68/31/1067056831.db2.gz KYEQBIYSMJOWNM-UUYOSTAYSA-N 0 0 679.470 4.951 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000409347150 1067056335 /nfs/dbraw/zinc/05/63/35/1067056335.db2.gz MKWPZMOHVXGMPH-GFCCVEGCSA-N 0 0 523.402 4.735 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000409347152 1066359637 /nfs/dbraw/zinc/35/96/37/1066359637.db2.gz MKWPZMOHVXGMPH-LBPRGKRZSA-N 0 0 523.402 4.735 40 5 KJBBRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409348135 1067074225 /nfs/dbraw/zinc/07/42/25/1067074225.db2.gz RPFDGIZZFHSQFQ-BKUYFWCQSA-N 0 0 648.469 4.809 40 5 KJBBRN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)C(C)C)c1 ZINC000409348772 1067073833 /nfs/dbraw/zinc/07/38/33/1067073833.db2.gz SSMBFIZWUHMXSU-FQEVSTJZSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)C(C)C)c1 ZINC000409348774 1066360503 /nfs/dbraw/zinc/36/05/03/1066360503.db2.gz SSMBFIZWUHMXSU-HXUWFJFHSA-N 0 0 517.011 4.543 40 5 KJBBRN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409349342 1067072745 /nfs/dbraw/zinc/07/27/45/1067072745.db2.gz PZDPSBDEEFJYJF-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409349343 1067072967 /nfs/dbraw/zinc/07/29/67/1067072967.db2.gz PZDPSBDEEFJYJF-LJQANCHMSA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409349357 1067073125 /nfs/dbraw/zinc/07/31/25/1067073125.db2.gz QCNIPICSOIBREF-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409349358 1067073352 /nfs/dbraw/zinc/07/33/52/1067073352.db2.gz QCNIPICSOIBREF-LJQANCHMSA-N 0 0 537.429 4.888 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 ZINC000409349405 1066360170 /nfs/dbraw/zinc/36/01/70/1066360170.db2.gz PQXWMJMHWOLOAP-NVNXTCNLSA-N 0 0 543.726 4.528 40 5 KJBBRN CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000409349552 1067072888 /nfs/dbraw/zinc/07/28/88/1067072888.db2.gz UGNVVYNUEWYALP-UHFFFAOYSA-N 0 0 523.402 4.733 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409350104 1067072468 /nfs/dbraw/zinc/07/24/68/1067072468.db2.gz XFRXEUNDWQLQNS-FMCGGJTJSA-N 0 0 709.496 4.959 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br ZINC000409350543 1066360797 /nfs/dbraw/zinc/36/07/97/1066360797.db2.gz YISCAOMBLOXDGZ-NVNXTCNLSA-N 0 0 541.177 4.795 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409350921 1067071484 /nfs/dbraw/zinc/07/14/84/1067071484.db2.gz WHTQLSNFOAQFCL-GFCCVEGCSA-N 0 0 523.402 4.735 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409350924 1067071657 /nfs/dbraw/zinc/07/16/57/1067071657.db2.gz WHTQLSNFOAQFCL-LBPRGKRZSA-N 0 0 523.402 4.735 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409351515 1067071210 /nfs/dbraw/zinc/07/12/10/1067071210.db2.gz WUICKLGQWGIMRA-FQEVSTJZSA-N 0 0 517.011 4.718 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000409351517 1067071028 /nfs/dbraw/zinc/07/10/28/1067071028.db2.gz WUICKLGQWGIMRA-HXUWFJFHSA-N 0 0 517.011 4.718 40 5 KJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C ZINC000409351952 1067070360 /nfs/dbraw/zinc/07/03/60/1067070360.db2.gz ZRWFRXLUFHKZRG-FQEVSTJZSA-N 0 0 531.038 4.933 40 5 KJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n1C ZINC000409351954 1067070867 /nfs/dbraw/zinc/07/08/67/1067070867.db2.gz ZRWFRXLUFHKZRG-HXUWFJFHSA-N 0 0 531.038 4.933 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccccc2Cl)C(C)C)n1C ZINC000409352814 1067069404 /nfs/dbraw/zinc/06/94/04/1067069404.db2.gz WTMAGQDRQKUTLW-FQEVSTJZSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccccc2Cl)C(C)C)n1C ZINC000409352816 1067069938 /nfs/dbraw/zinc/06/99/38/1067069938.db2.gz WTMAGQDRQKUTLW-HXUWFJFHSA-N 0 0 517.011 4.543 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409353207 1066360760 /nfs/dbraw/zinc/36/07/60/1066360760.db2.gz ZCYYLPCETAZFHY-RGFRMHDHSA-N 0 0 569.639 4.594 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409353208 1067069585 /nfs/dbraw/zinc/06/95/85/1067069585.db2.gz ZCYYLPCETAZFHY-XQNWCSQWSA-N 0 0 569.639 4.594 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1C ZINC000409354045 1067068386 /nfs/dbraw/zinc/06/83/86/1067068386.db2.gz XEUOACPBNJISEU-UHFFFAOYSA-N 0 0 502.350 4.938 40 5 KJBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409354106 1067068684 /nfs/dbraw/zinc/06/86/84/1067068684.db2.gz YDQKZZGDOZKSMD-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409354107 1067068812 /nfs/dbraw/zinc/06/88/12/1067068812.db2.gz YDQKZZGDOZKSMD-LJQANCHMSA-N 0 0 537.429 4.888 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409354373 1067067931 /nfs/dbraw/zinc/06/79/31/1067067931.db2.gz DJAMYKFLEIEBOG-GFCCVEGCSA-N 0 0 523.402 4.735 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000409354374 1067067921 /nfs/dbraw/zinc/06/79/21/1067067921.db2.gz DJAMYKFLEIEBOG-LBPRGKRZSA-N 0 0 523.402 4.735 40 5 KJBBRN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409354728 1067067182 /nfs/dbraw/zinc/06/71/82/1067067182.db2.gz AMZWCNJRBIBSJB-JTQLQIEISA-N 0 0 543.820 4.905 40 5 KJBBRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000409354731 1067067159 /nfs/dbraw/zinc/06/71/59/1067067159.db2.gz AMZWCNJRBIBSJB-SNVBAGLBSA-N 0 0 543.820 4.905 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)n1C ZINC000409355659 1067066150 /nfs/dbraw/zinc/06/61/50/1067066150.db2.gz DBNRXBQHTRMRQM-FQEVSTJZSA-N 0 0 517.011 4.543 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)n1C ZINC000409355661 1067066135 /nfs/dbraw/zinc/06/61/35/1067066135.db2.gz DBNRXBQHTRMRQM-HXUWFJFHSA-N 0 0 517.011 4.543 40 5 KJBBRN Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409356733 1067065362 /nfs/dbraw/zinc/06/53/62/1067065362.db2.gz HHIGNELFUAIJBQ-UHFFFAOYSA-N 0 0 529.793 4.596 40 5 KJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)n1C ZINC000409357781 1067074770 /nfs/dbraw/zinc/07/47/70/1067074770.db2.gz JYNVDQLJAPMTAO-GFCCVEGCSA-N 0 0 523.402 4.560 40 5 KJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)n1C ZINC000409357783 1067075045 /nfs/dbraw/zinc/07/50/45/1067075045.db2.gz JYNVDQLJAPMTAO-LBPRGKRZSA-N 0 0 523.402 4.560 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409358583 1067083903 /nfs/dbraw/zinc/08/39/03/1067083903.db2.gz MFTSLIWENWNEQV-GFCCVEGCSA-N 0 0 523.402 4.735 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000409358586 1067083687 /nfs/dbraw/zinc/08/36/87/1067083687.db2.gz MFTSLIWENWNEQV-LBPRGKRZSA-N 0 0 523.402 4.735 40 5 KJBBRN CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000409359039 1067083461 /nfs/dbraw/zinc/08/34/61/1067083461.db2.gz MEQKJBPVWKBLJR-JXMROGBWSA-N 0 0 535.413 4.573 40 5 KJBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409359056 1067083321 /nfs/dbraw/zinc/08/33/21/1067083321.db2.gz MGVGANMVBRCWNE-IBGZPJMESA-N 0 0 537.429 4.888 40 5 KJBBRN CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000409359059 1067083409 /nfs/dbraw/zinc/08/34/09/1067083409.db2.gz MGVGANMVBRCWNE-LJQANCHMSA-N 0 0 537.429 4.888 40 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC(C)C)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409365960 1067076618 /nfs/dbraw/zinc/07/66/18/1067076618.db2.gz YCQNLAGQJKIWOB-LCQSEVKBSA-N 0 0 571.655 4.955 40 5 KJBBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC(C)C)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000409365961 1066362221 /nfs/dbraw/zinc/36/22/21/1066362221.db2.gz YCQNLAGQJKIWOB-UQDCTOEPSA-N 0 0 571.655 4.955 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000409366372 1066362720 /nfs/dbraw/zinc/36/27/20/1066362720.db2.gz QVBJNISDYBSLJZ-FQEVSTJZSA-N 0 0 517.011 4.718 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409366374 1067076095 /nfs/dbraw/zinc/07/60/95/1067076095.db2.gz QVBJNISDYBSLJZ-HXUWFJFHSA-N 0 0 517.011 4.718 40 5 KJBBRN O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCOCC3)cc2Br)c1 ZINC000409368406 1067091150 /nfs/dbraw/zinc/09/11/50/1067091150.db2.gz UIRCHSGKYLFONT-UHFFFAOYSA-N 0 0 516.211 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4.985 40 5 KJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)o1 ZINC000409377167 1067085255 /nfs/dbraw/zinc/08/52/55/1067085255.db2.gz FIAZRNJPHYTILD-QRVIBDJDSA-N 0 0 503.536 4.784 40 5 KJBBRN Cc1c(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409377686 1067092368 /nfs/dbraw/zinc/09/23/68/1067092368.db2.gz KKYCVYKCXCVWKE-IWIPYMOSSA-N 0 0 518.595 4.955 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409379645 1067105056 /nfs/dbraw/zinc/10/50/56/1067105056.db2.gz YXQPUNWBHYWYOZ-BKUYFWCQSA-N 0 0 590.452 4.994 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCCCC1 ZINC000409379988 1067104208 /nfs/dbraw/zinc/10/42/08/1067104208.db2.gz FERPRQLOJBTIPQ-BKUYFWCQSA-N 0 0 607.426 4.827 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409380119 1067102963 /nfs/dbraw/zinc/10/29/63/1067102963.db2.gz IKZPQVXFGOLJEI-UUYOSTAYSA-N 0 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560.426 4.985 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409384945 1067096564 /nfs/dbraw/zinc/09/65/64/1067096564.db2.gz GYVQNZQVRKRMFV-WSDLNYQXSA-N 0 0 524.507 4.799 40 5 KJBBRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409385726 1067095314 /nfs/dbraw/zinc/09/53/14/1067095314.db2.gz IGWUSNLFESDDKX-BKUYFWCQSA-N 0 0 637.452 4.836 40 5 KJBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2Cl)cccc1[N+](=O)[O-] ZINC000409385820 1067095426 /nfs/dbraw/zinc/09/54/26/1067095426.db2.gz JNLAJZBRJLKIJQ-INIZCTEOSA-N 0 0 503.964 4.614 40 5 KJBBRN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2Cl)cccc1[N+](=O)[O-] ZINC000409385821 1067095638 /nfs/dbraw/zinc/09/56/38/1067095638.db2.gz JNLAJZBRJLKIJQ-MRXNPFEDSA-N 0 0 503.964 4.614 40 5 KJBBRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)N1CCc2ccccc2C1 ZINC000409387711 1067111397 /nfs/dbraw/zinc/11/13/97/1067111397.db2.gz SJULAMATJMLEFC-MYYYXRDXSA-N 0 0 529.574 4.795 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)o1 ZINC000409388467 1066366662 /nfs/dbraw/zinc/36/66/62/1066366662.db2.gz JKKCVDMAXRAYFL-KEBDBYFISA-N 0 0 525.451 4.911 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409389032 1067107971 /nfs/dbraw/zinc/10/79/71/1067107971.db2.gz LGROMIORBZSQGX-WSDLNYQXSA-N 0 0 524.507 4.799 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)o1 ZINC000409389896 1067107501 /nfs/dbraw/zinc/10/75/01/1067107501.db2.gz QOJHGLOELXDNQY-UFFVCSGVSA-N 0 0 555.477 4.920 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)o1 ZINC000409389931 1067107545 /nfs/dbraw/zinc/10/75/45/1067107545.db2.gz RBCSDZUWPSHSPP-SSDVNMTOSA-N 0 0 524.507 4.799 40 5 KJBBRN COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409391161 1067106206 /nfs/dbraw/zinc/10/62/06/1067106206.db2.gz HSXUBDQCJKOONC-KSEXSDGBSA-N 0 0 518.507 4.691 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(F)cc3)C2=O)o1 ZINC000409397963 1067118304 /nfs/dbraw/zinc/11/83/04/1067118304.db2.gz ALTGHLJAMDRWLG-NVMNQCDNSA-N 0 0 574.315 4.548 40 5 KJBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000409398272 1067118346 /nfs/dbraw/zinc/11/83/46/1067118346.db2.gz CKZJXITXQPDUOG-GRSHGNNSSA-N 0 0 555.927 4.698 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(C)cc3)C2=O)o1 ZINC000409398277 1067117516 /nfs/dbraw/zinc/11/75/16/1067117516.db2.gz CLGWEYJCYGZDJA-GRSHGNNSSA-N 0 0 525.901 4.608 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3Cl)C2=O)o1 ZINC000409398288 1067117448 /nfs/dbraw/zinc/11/74/48/1067117448.db2.gz COEMUOKTDFYOOA-NVMNQCDNSA-N 0 0 546.319 4.953 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc(C)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398355 1067117549 /nfs/dbraw/zinc/11/75/49/1067117549.db2.gz DDYOAQJJJWFHGX-GRSHGNNSSA-N 0 0 570.352 4.717 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398357 1067117402 /nfs/dbraw/zinc/11/74/02/1067117402.db2.gz DGCIRQWJAIYDOG-UUYOSTAYSA-N 0 0 557.515 4.808 40 5 KJBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409398460 1067117462 /nfs/dbraw/zinc/11/74/62/1067117462.db2.gz BADIDJAVNFZHKA-JAIQZWGSSA-N 0 0 555.927 4.698 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)o1 ZINC000409398596 1067117022 /nfs/dbraw/zinc/11/70/22/1067117022.db2.gz DZIFPXKEOXQPRD-UCQKPKSFSA-N 0 0 527.489 4.800 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409398623 1067116988 /nfs/dbraw/zinc/11/69/88/1067116988.db2.gz FFFVONLHDASMQR-ZDLGFXPLSA-N 0 0 546.319 4.953 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(C)cc3)C2=O)o1 ZINC000409398667 1067116875 /nfs/dbraw/zinc/11/68/75/1067116875.db2.gz FRWFBLAIZUAGEW-GRSHGNNSSA-N 0 0 570.352 4.717 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 ZINC000409398670 1067116941 /nfs/dbraw/zinc/11/69/41/1067116941.db2.gz FSFXHAOKDCILKD-APSNUPSMSA-N 0 0 577.731 4.671 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398674 1067116915 /nfs/dbraw/zinc/11/69/15/1067116915.db2.gz FTNXGIALCKCQAR-GRSHGNNSSA-N 0 0 525.901 4.608 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3cccc4ccccc43)C2=O)o1 ZINC000409398693 1067116928 /nfs/dbraw/zinc/11/69/28/1067116928.db2.gz FXHDDPKDGACENB-UCQKPKSFSA-N 0 0 527.489 4.800 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398748 1067116933 /nfs/dbraw/zinc/11/69/33/1067116933.db2.gz GGDYYFMXWIKDOS-NVMNQCDNSA-N 0 0 574.315 4.548 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409398987 1067116382 /nfs/dbraw/zinc/11/63/82/1067116382.db2.gz GSWQFTYBKAUQHH-GRSHGNNSSA-N 0 0 570.352 4.717 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)o1 ZINC000409399082 1067115736 /nfs/dbraw/zinc/11/57/36/1067115736.db2.gz HRIPZJHVDRYURC-GRSHGNNSSA-N 0 0 729.221 4.856 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)o1 ZINC000409399428 1067115705 /nfs/dbraw/zinc/11/57/05/1067115705.db2.gz IPUAWSLELVFQKK-GRSHGNNSSA-N 0 0 729.221 4.856 40 5 KJBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409399499 1067115026 /nfs/dbraw/zinc/11/50/26/1067115026.db2.gz JGXHCLSIEDANOU-JAIQZWGSSA-N 0 0 647.378 4.650 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)cc3Cl)C2=O)o1 ZINC000409399557 1067114871 /nfs/dbraw/zinc/11/48/71/1067114871.db2.gz JWYKBGYHAGUJAZ-OCKHKDLRSA-N 0 0 546.319 4.953 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000409399656 1067114989 /nfs/dbraw/zinc/11/49/89/1067114989.db2.gz KLXCFOQHVHIVHA-GRSHGNNSSA-N 0 0 546.319 4.953 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399672 1067113937 /nfs/dbraw/zinc/11/39/37/1067113937.db2.gz KQOGNAUSNMOINU-NVMNQCDNSA-N 0 0 546.319 4.953 40 5 KJBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000409399720 1067114596 /nfs/dbraw/zinc/11/45/96/1067114596.db2.gz KXPBRQNCDPYVET-JMIUGGIZSA-N 0 0 600.378 4.808 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc(C)c3)C2=O)o1 ZINC000409399722 1067114536 /nfs/dbraw/zinc/11/45/36/1067114536.db2.gz KYWDKLLCFBVGES-GRSHGNNSSA-N 0 0 525.901 4.608 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399723 1066367702 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COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399909 1067113415 /nfs/dbraw/zinc/11/34/15/1067113415.db2.gz LZHHDVNVGNBCSI-NVMNQCDNSA-N 0 0 546.319 4.953 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc5ccccc54)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399956 1067113394 /nfs/dbraw/zinc/11/33/94/1067113394.db2.gz MHKTWJNTMAAUKX-XKZIYDEJSA-N 0 0 527.489 4.800 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1 ZINC000409399961 1067113372 /nfs/dbraw/zinc/11/33/72/1067113372.db2.gz MIRBLBLZPLELRU-NVMNQCDNSA-N 0 0 633.795 4.501 40 5 KJBBRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1Cl ZINC000409399966 1066368234 /nfs/dbraw/zinc/36/82/34/1066368234.db2.gz MKOZDGNSQVFYNO-GRSHGNNSSA-N 0 0 555.927 4.698 40 5 KJBBRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)C2=O)o1 ZINC000409399973 1067113425 /nfs/dbraw/zinc/11/34/25/1067113425.db2.gz 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COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Cl)cc3Cl)C2=O)o1 ZINC000409410098 1067133683 /nfs/dbraw/zinc/13/36/83/1067133683.db2.gz TXINESXZEZSGQE-MFOYZWKCSA-N 0 0 560.302 4.593 40 5 KJBBRN CCOc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(SC)cc1 ZINC000409411383 1067131585 /nfs/dbraw/zinc/13/15/85/1067131585.db2.gz HLKMHMQHVFYUMT-UHFFFAOYSA-N 0 0 515.613 4.858 40 5 KJBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O ZINC000409411775 1067131184 /nfs/dbraw/zinc/13/11/84/1067131184.db2.gz LECUDIJICFGVIJ-UHFFFAOYSA-N 0 0 512.773 4.726 40 5 KJBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)S(C)(=O)=O ZINC000409411784 1066368951 /nfs/dbraw/zinc/36/89/51/1066368951.db2.gz ZSOXQOCTGTWTKV-UHFFFAOYSA-N 0 0 513.616 4.548 40 5 KJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Br)ccc1O ZINC000409412121 1067130238 /nfs/dbraw/zinc/13/02/38/1067130238.db2.gz RTDMXFDJANJQKB-UHFFFAOYSA-N 0 0 512.773 4.726 40 5 KJBBRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)N2N1 ZINC000588225391 1066476320 /nfs/dbraw/zinc/47/63/20/1066476320.db2.gz BEAPJOVYFBLEFQ-HSZRJFAPSA-N 0 0 524.002 4.575 40 5 KJBBRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)N2N1 ZINC000588225392 1066476231 /nfs/dbraw/zinc/47/62/31/1066476231.db2.gz BEAPJOVYFBLEFQ-QHCPKHFHSA-N 0 0 524.002 4.575 40 5 KJBBRN O=C1N=C(SCc2ccccc2Cl)NN2C1=c1ccccc1=N[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000588226509 1066476354 /nfs/dbraw/zinc/47/63/54/1066476354.db2.gz UJQSQYFMDYKOLA-RUZDIDTESA-N 0 0 543.992 4.585 40 5 KJBBRN O=C1N=C(SCc2ccccc2Cl)NN2C1=c1ccccc1=N[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000588226511 1066476459 /nfs/dbraw/zinc/47/64/59/1066476459.db2.gz UJQSQYFMDYKOLA-VWLOTQADSA-N 0 0 543.992 4.585 40 5 KJBBRN CCCCCCSC1=NN2[C@@H](C(=O)N1)c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)cc([N+](=O)[O-])c1OC(C)=O ZINC000588229290 1066477642 /nfs/dbraw/zinc/47/76/42/1066477642.db2.gz 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