smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000004193162 132272924 /nfs/dbraw/zinc/27/29/24/132272924.db2.gz KHPBXOQVAOCUSR-QIGVCLAPSA-N 0 0 407.854 4.568 40 5 HJBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)NC1CCCCC1 ZINC000035313197 557688892 /nfs/dbraw/zinc/68/88/92/557688892.db2.gz CZCBRTWXWACADQ-UHFFFAOYSA-N 0 0 408.552 4.934 40 5 HJBBRN Cc1c(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000039755384 558687422 /nfs/dbraw/zinc/68/74/22/558687422.db2.gz RCTYZENLWOUPCU-UHFFFAOYSA-N 0 0 405.857 4.546 40 5 HJBBRN COc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229578 559170013 /nfs/dbraw/zinc/17/00/13/559170013.db2.gz WXAGSQHCQQPGIB-UHFFFAOYSA-N 0 0 403.866 4.745 40 5 HJBBRN O=C(COc1ccc(Br)cc1)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000072229512 559170102 /nfs/dbraw/zinc/17/01/02/559170102.db2.gz IRKWHHQCXUZUSI-UHFFFAOYSA-N 0 0 420.046 4.682 40 5 HJBBRN COc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229576 559170106 /nfs/dbraw/zinc/17/01/06/559170106.db2.gz OFBLDSAAUVWMKC-CYBMUJFWSA-N 0 0 403.866 4.888 40 5 HJBBRN COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000072229950 559170119 /nfs/dbraw/zinc/17/01/19/559170119.db2.gz SFTMYAWKYYTVPG-FQEVSTJZSA-N 0 0 412.829 4.591 40 5 HJBBRN O=[N+]([O-])c1ccc(CCCCCCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100170701 559171437 /nfs/dbraw/zinc/17/14/37/559171437.db2.gz PQJHKEMRVXUDLF-UHFFFAOYSA-N 0 0 418.362 4.665 40 5 HJBBRN CCOc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004893573 559198084 /nfs/dbraw/zinc/19/80/84/559198084.db2.gz XDSRHURUKKSYOG-UHFFFAOYSA-N 0 0 406.438 4.849 40 5 HJBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408553491 559218096 /nfs/dbraw/zinc/21/80/96/559218096.db2.gz AGFLMOVCNMGIMC-UHFFFAOYSA-N 0 0 409.398 4.703 40 5 HJBBRN O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1 ZINC000408558208 559218182 /nfs/dbraw/zinc/21/81/82/559218182.db2.gz QKKNPDNVVIQHAQ-UHFFFAOYSA-N 0 0 411.845 4.878 40 5 HJBBRN CCc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 ZINC000408565534 559219168 /nfs/dbraw/zinc/21/91/68/559219168.db2.gz CEPZNIKKTLJEIH-GOSISDBHSA-N 0 0 402.907 4.902 40 5 HJBBRN CCOc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C(C)=O)n1CC ZINC000408582360 559220004 /nfs/dbraw/zinc/22/00/04/559220004.db2.gz NDQMYIBPBZBKLS-UHFFFAOYSA-N 0 0 412.471 4.626 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408624064 559221915 /nfs/dbraw/zinc/22/19/15/559221915.db2.gz UCZYDHMARMNSMW-UHFFFAOYSA-N 0 0 419.824 4.989 40 5 HJBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c(Cl)cccc12 ZINC000408624609 559221937 /nfs/dbraw/zinc/22/19/37/559221937.db2.gz VGQMHBQVTRERPS-UHFFFAOYSA-N 0 0 403.822 4.667 40 5 HJBBRN Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(F)cc1 ZINC000409206056 559244642 /nfs/dbraw/zinc/24/46/42/559244642.db2.gz HDAHZMWGRBGLJU-UZYVYHOESA-N 0 0 405.838 4.504 40 5 HJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1Cl ZINC000408877993 560649608 /nfs/dbraw/zinc/64/96/08/560649608.db2.gz ZRMKPYHNYYDTHH-UHFFFAOYSA-N 0 0 410.948 4.531 40 5 HJBBRN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408995097 560663270 /nfs/dbraw/zinc/66/32/70/560663270.db2.gz IYHYPJBLTRCCBK-CMDGGOBGSA-N 0 0 423.385 4.693 40 5 HJBBRN COc1ccc2c(c1)-c1nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc1CC2 ZINC000409054026 560671235 /nfs/dbraw/zinc/67/12/35/560671235.db2.gz PWAMKBZLCZVDRH-UHFFFAOYSA-N 0 0 415.858 4.731 40 5 HJBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OC ZINC000409061361 560671591 /nfs/dbraw/zinc/67/15/91/560671591.db2.gz WJESRBPIBCZOTQ-PXNMLYILSA-N 0 0 420.830 4.506 40 5 HJBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccccc1 ZINC000409206648 560691186 /nfs/dbraw/zinc/69/11/86/560691186.db2.gz ZIJOWJUDDCUIII-VZCXRCSSSA-N 0 0 401.875 4.619 40 5 HJBBRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017091997 560866737 /nfs/dbraw/zinc/86/67/37/560866737.db2.gz PDMQUEFRQSKPFX-UHFFFAOYSA-N 0 0 419.821 4.774 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000021595468 568722447 /nfs/dbraw/zinc/72/24/47/568722447.db2.gz XNPVLQJQYSTDOU-UHFFFAOYSA-N 0 0 408.502 4.684 40 5 HJBBRN CCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225565107 568773988 /nfs/dbraw/zinc/77/39/88/568773988.db2.gz XBYFRRDAICARDP-UHFFFAOYSA-N 0 0 412.486 4.687 40 5 HJBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCC(C)C ZINC000225564886 568774026 /nfs/dbraw/zinc/77/40/26/568774026.db2.gz YHWNTBVIRCDBLA-UHFFFAOYSA-N 0 0 412.486 4.625 40 5 HJBBRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222945968 568868192 /nfs/dbraw/zinc/86/81/92/568868192.db2.gz JHUCRRAJCDTGSL-SFTDATJTSA-N 0 0 422.510 4.878 40 5 HJBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222978737 568907212 /nfs/dbraw/zinc/90/72/12/568907212.db2.gz DHTKQBVLAOIJOU-SFTDATJTSA-N 0 0 421.526 4.553 40 5 HJBBRN CCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000032111805 568915484 /nfs/dbraw/zinc/91/54/84/568915484.db2.gz ZXEOPENODQPSIR-YVLHZVERSA-N 0 0 418.858 4.883 40 5 HJBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccccc1Cl ZINC000001379025 568918602 /nfs/dbraw/zinc/91/86/02/568918602.db2.gz CLWIDSIREQRJNU-UHFFFAOYSA-N 0 0 416.846 4.518 40 5 HJBBRN O=C(c1cccs1)[C@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 ZINC000003647610 568922067 /nfs/dbraw/zinc/92/20/67/568922067.db2.gz IVXTXTKDOXPLHH-WSWWRLHASA-N 0 0 402.475 4.644 40 5 HJBBRN Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O2 ZINC000218051621 568924789 /nfs/dbraw/zinc/92/47/89/568924789.db2.gz XTYSXHYECKQCRM-GOSISDBHSA-N 0 0 400.500 4.555 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)o1 ZINC000001439706 568939934 /nfs/dbraw/zinc/93/99/34/568939934.db2.gz ABINLCZKTUFEQC-LDADJPATSA-N 0 0 404.378 4.516 40 5 HJBBRN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1OC ZINC000016006512 569025454 /nfs/dbraw/zinc/02/54/54/569025454.db2.gz FOTLLWDQEQCNDU-UHFFFAOYSA-N 0 0 419.846 4.641 40 5 HJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O ZINC000006595812 569068611 /nfs/dbraw/zinc/06/86/11/569068611.db2.gz IZYFJPHGRZYEKM-FQEVSTJZSA-N 0 0 411.797 4.735 40 5 HJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@@H]1[N+](=O)[O-] ZINC000036082456 569087305 /nfs/dbraw/zinc/08/73/05/569087305.db2.gz UPLODQWJFKBBKR-BDXSIMOUSA-N 0 0 424.284 4.696 40 5 HJBBRN COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000006846829 569151347 /nfs/dbraw/zinc/15/13/47/569151347.db2.gz FJVWLGXHTSYMNG-XVNBXDOJSA-N 0 0 411.639 4.671 40 5 HJBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nc2ccccc2s1 ZINC000006884728 569167008 /nfs/dbraw/zinc/16/70/08/569167008.db2.gz XCDSLDJXXXEUKW-UHFFFAOYSA-N 0 0 405.435 4.889 40 5 HJBBRN O=c1c2c(nccc2-c2ccccc2)n(Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000017093020 569273583 /nfs/dbraw/zinc/27/35/83/569273583.db2.gz CEBDAQXAPOJDNI-UHFFFAOYSA-N 0 0 422.444 4.811 40 5 HJBBRN CCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br ZINC000017089693 569273844 /nfs/dbraw/zinc/27/38/44/569273844.db2.gz ZKGMZPZLWSTZMY-UHFFFAOYSA-N 0 0 413.655 4.970 40 5 HJBBRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000017091675 569274403 /nfs/dbraw/zinc/27/44/03/569274403.db2.gz WTPPEHKCBLWQGX-UHFFFAOYSA-N 0 0 418.862 4.849 40 5 HJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc12 ZINC000215005034 569324668 /nfs/dbraw/zinc/32/46/68/569324668.db2.gz UMJZNBHAFJTNKN-UDWIEESQSA-N 0 0 420.446 4.993 40 5 HJBBRN O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006225153 569329987 /nfs/dbraw/zinc/32/99/87/569329987.db2.gz SEOXXEWDSJGVDB-UHFFFAOYSA-N 0 0 401.831 4.635 40 5 HJBBRN Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] ZINC000006520603 569333133 /nfs/dbraw/zinc/33/31/33/569333133.db2.gz YXVQMYVEHIEFAW-UHFFFAOYSA-N 0 0 408.366 4.961 40 5 HJBBRN Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000014792881 569344899 /nfs/dbraw/zinc/34/48/99/569344899.db2.gz MGUVFFRWDOEWND-INIZCTEOSA-N 0 0 403.438 4.647 40 5 HJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] ZINC000013146648 569409971 /nfs/dbraw/zinc/40/99/71/569409971.db2.gz XLUWPBDJPCVERE-MHORFTMASA-N 0 0 424.284 4.696 40 5 HJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 ZINC000032118909 571306928 /nfs/dbraw/zinc/30/69/28/571306928.db2.gz OFXWWHWDQGCBGH-UHFFFAOYSA-N 0 0 414.512 4.674 40 5 HJBBRN O=[N+]([O-])c1ccc(CNc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000329005178 571308240 /nfs/dbraw/zinc/30/82/40/571308240.db2.gz KWKOSQXPKAVBCD-UHFFFAOYSA-N 0 0 408.767 5.336 40 5 HJBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)NCc1ccccc1 ZINC000035313353 557688977 /nfs/dbraw/zinc/68/89/77/557688977.db2.gz UDLFRDFNMYQFPN-UHFFFAOYSA-N 0 0 416.531 4.801 40 5 HJBBRN Cc1ccc(C(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc32)cc1 ZINC000013511010 558835188 /nfs/dbraw/zinc/83/51/88/558835188.db2.gz CICOMKPIRUTNOQ-UHFFFAOYSA-N 0 0 422.491 4.945 40 5 HJBBRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408560845 559218082 /nfs/dbraw/zinc/21/80/82/559218082.db2.gz FGSWDSNVEKAPAD-VZCXRCSSSA-N 0 0 401.875 4.848 40 5 HJBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 ZINC000408567746 559218205 /nfs/dbraw/zinc/21/82/05/559218205.db2.gz HHOJNOJXGWNCMI-IBGZPJMESA-N 0 0 400.479 4.948 40 5 HJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000408572534 559219359 /nfs/dbraw/zinc/21/93/59/559219359.db2.gz JJVSZROKPUCSMV-DHZHZOJOSA-N 0 0 411.414 4.520 40 5 HJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000408577396 559219461 /nfs/dbraw/zinc/21/94/61/559219461.db2.gz ZFFGMFMNEXMCKV-GOSISDBHSA-N 0 0 418.906 4.738 40 5 HJBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000408623297 559221847 /nfs/dbraw/zinc/22/18/47/559221847.db2.gz SPBYINHSDIQYEL-UHFFFAOYSA-N 0 0 401.216 4.771 40 5 HJBBRN Cc1cccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000408717894 559224645 /nfs/dbraw/zinc/22/46/45/559224645.db2.gz MBQVWVMLFKINCS-UHFFFAOYSA-N 0 0 400.378 4.803 40 5 HJBBRN O=C1NC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409166401 559243222 /nfs/dbraw/zinc/24/32/22/559243222.db2.gz FKMLMCPLDGOIPW-GZTJUZNOSA-N 0 0 409.785 4.606 40 5 HJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 ZINC000409238309 559245694 /nfs/dbraw/zinc/24/56/94/559245694.db2.gz WVJVTBHITCGKGV-UDWIEESQSA-N 0 0 417.421 4.565 40 5 HJBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000001379001 560582262 /nfs/dbraw/zinc/58/22/62/560582262.db2.gz ZKZBFAPVELTBPB-UHFFFAOYSA-N 0 0 416.846 4.518 40 5 HJBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005569584 560617316 /nfs/dbraw/zinc/61/73/16/560617316.db2.gz LKYYXNMNLBYTLY-UHFFFAOYSA-N 0 0 402.834 4.990 40 5 HJBBRN O=C(NC1CCCCC1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408977387 560660612 /nfs/dbraw/zinc/66/06/12/560660612.db2.gz VUOFNUUVMAGXBM-UHFFFAOYSA-N 0 0 407.477 4.942 40 5 HJBBRN Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(F)cc1 ZINC000409201149 560692812 /nfs/dbraw/zinc/69/28/12/560692812.db2.gz VWSMCDKAECFWAR-UZYVYHOESA-N 0 0 405.838 4.504 40 5 HJBBRN CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000024522556 560843488 /nfs/dbraw/zinc/84/34/88/560843488.db2.gz IZUCGDDHQMDCNZ-SFTDATJTSA-N 0 0 410.470 4.646 40 5 HJBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000106688949 560893021 /nfs/dbraw/zinc/89/30/21/560893021.db2.gz LAGFCKKOVZFRCR-UNOMPAQXSA-N 0 0 423.425 4.761 40 5 HJBBRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000020885698 568460597 /nfs/dbraw/zinc/46/05/97/568460597.db2.gz DNTWWGYBTIRAJE-UHFFFAOYSA-N 0 0 423.263 4.715 40 5 HJBBRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)ccc21 ZINC000219824020 568498671 /nfs/dbraw/zinc/49/86/71/568498671.db2.gz WPGRNDSMTISNAA-UHFFFAOYSA-N 0 0 419.437 4.749 40 5 HJBBRN CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 ZINC000019927703 568585697 /nfs/dbraw/zinc/58/56/97/568585697.db2.gz YUVRZCPUJUEBGL-UHFFFAOYSA-N 0 0 419.304 4.928 40 5 HJBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000020411461 568605011 /nfs/dbraw/zinc/60/50/11/568605011.db2.gz OFCMNZSHKKTHTL-UHFFFAOYSA-N 0 0 413.455 4.722 40 5 HJBBRN CCOc1ccccc1CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020489531 568613371 /nfs/dbraw/zinc/61/33/71/568613371.db2.gz ZOKACWSYZJYJKF-CJLVFECKSA-N 0 0 402.450 4.851 40 5 HJBBRN Cc1c2ccccc2oc1-c1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn21 ZINC000096194385 568703837 /nfs/dbraw/zinc/70/38/37/568703837.db2.gz JAXGUKWDMFGRKS-DHZHZOJOSA-N 0 0 403.423 4.986 40 5 HJBBRN Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 ZINC000000853540 568711935 /nfs/dbraw/zinc/71/19/35/568711935.db2.gz OEYYUMPVRFMAAS-UHFFFAOYSA-N 0 0 416.886 4.952 40 5 HJBBRN O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000225832446 568782905 /nfs/dbraw/zinc/78/29/05/568782905.db2.gz DFBZLTOBLIAANH-UHFFFAOYSA-N 0 0 414.421 4.883 40 5 HJBBRN CC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000028498727 568785213 /nfs/dbraw/zinc/78/52/13/568785213.db2.gz CXWUNNRKWRZELK-UHFFFAOYSA-N 0 0 415.493 4.709 40 5 HJBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000001378978 568918537 /nfs/dbraw/zinc/91/85/37/568918537.db2.gz YEAQMWCITOZLRC-UHFFFAOYSA-N 0 0 416.846 4.518 40 5 HJBBRN O=[N+]([O-])C[C@@H](Nc1ccccc1)c1cccc([C@@H](C[N+](=O)[O-])Nc2ccccc2)c1 ZINC000003845195 568927464 /nfs/dbraw/zinc/92/74/64/568927464.db2.gz MKKZTEXEWNZAPK-FGZHOGPDSA-N 0 0 406.442 4.546 40 5 HJBBRN O=[N+]([O-])c1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)nc1 ZINC000224000567 569033035 /nfs/dbraw/zinc/03/30/35/569033035.db2.gz UREBYTDZRGEWGF-UHFFFAOYSA-N 0 0 404.923 4.832 40 5 HJBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000007094425 569219460 /nfs/dbraw/zinc/21/94/60/569219460.db2.gz UKRHYFPBVMBYQZ-UYRXBGFRSA-N 0 0 405.435 4.622 40 5 HJBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000006546286 569333251 /nfs/dbraw/zinc/33/32/51/569333251.db2.gz SZMHHUBLCHTUGA-UHFFFAOYSA-N 0 0 409.467 4.907 40 5 HJBBRN Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033736013 569351206 /nfs/dbraw/zinc/35/12/06/569351206.db2.gz LNZGVFVPOVAXSL-UHFFFAOYSA-N 0 0 415.858 4.943 40 5 HJBBRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034889148 569351599 /nfs/dbraw/zinc/35/15/99/569351599.db2.gz BEMLVTYLCAINEF-UHFFFAOYSA-N 0 0 415.858 4.943 40 5 HJBBRN O=C(NCc1ccc2c(c1)OCO2)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000104373992 569352629 /nfs/dbraw/zinc/35/26/29/569352629.db2.gz NZTFUSQFSMJXFV-UHFFFAOYSA-N 0 0 413.458 4.656 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038853928 571087924 /nfs/dbraw/zinc/08/79/24/571087924.db2.gz DQZZERVVSXASCV-UHFFFAOYSA-N 0 0 408.285 4.752 40 5 HJBBRN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)OCC12CC3CC(CC(C3)C1)C2 ZINC000020436475 526338690 /nfs/dbraw/zinc/33/86/90/526338690.db2.gz QWQGNYGVUXNZDH-UHFFFAOYSA-N 0 0 407.898 4.603 40 5 HJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072260247 559171214 /nfs/dbraw/zinc/17/12/14/559171214.db2.gz OCVARWBJIQUXBJ-UHFFFAOYSA-N 0 0 411.417 4.869 40 5 HJBBRN CC(=O)Nc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000408564609 559218203 /nfs/dbraw/zinc/21/82/03/559218203.db2.gz YOGOTIOGFRRXJI-HYARGMPZSA-N 0 0 401.422 4.733 40 5 HJBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc3ccccc32)cc1 ZINC000408567671 559218562 /nfs/dbraw/zinc/21/85/62/559218562.db2.gz HCKGUCSOFSFKDA-NRFANRHFSA-N 0 0 420.494 4.848 40 5 HJBBRN Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] ZINC000408617061 559221627 /nfs/dbraw/zinc/22/16/27/559221627.db2.gz BIFBOOQVNNCACY-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1[N+](=O)[O-] ZINC000408994457 559237037 /nfs/dbraw/zinc/23/70/37/559237037.db2.gz GCKVIAYEECHNHX-YSZBQJHXSA-N 0 0 417.421 4.983 40 5 HJBBRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 ZINC000005234091 560547883 /nfs/dbraw/zinc/54/78/83/560547883.db2.gz PPMQYRVHLUOKQO-UHFFFAOYSA-N 0 0 403.799 4.915 40 5 HJBBRN Cc1nc(Nc2ccc(Br)cc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005360766 560571405 /nfs/dbraw/zinc/57/14/05/560571405.db2.gz ZCTGAWUXYDQWRA-UHFFFAOYSA-N 0 0 414.263 4.967 40 5 HJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc3cc(C)ccc3cc2c1N ZINC000004959803 560620885 /nfs/dbraw/zinc/62/08/85/560620885.db2.gz YNTZWBLWAATYSU-UHFFFAOYSA-N 0 0 408.439 4.509 40 5 HJBBRN COc1ccc(OC)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000408926643 560654774 /nfs/dbraw/zinc/65/47/74/560654774.db2.gz VOQRVZTWZARTTN-XSFVSMFZSA-N 0 0 404.422 4.791 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409090959 560675330 /nfs/dbraw/zinc/67/53/30/560675330.db2.gz RXACKTNZCZUOFW-WOJGMQOQSA-N 0 0 423.812 4.914 40 5 HJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1[N+](=O)[O-] ZINC000014132087 560838637 /nfs/dbraw/zinc/83/86/37/560838637.db2.gz QRPGALINGXADCM-UDWIEESQSA-N 0 0 420.446 4.993 40 5 HJBBRN Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1C ZINC000106722146 560893512 /nfs/dbraw/zinc/89/35/12/560893512.db2.gz UYPPFUGZIKJDJR-ODLFYWEKSA-N 0 0 407.451 4.631 40 5 HJBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000020141101 568590021 /nfs/dbraw/zinc/59/00/21/568590021.db2.gz MMGRBJRGIKQLPU-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-] ZINC000020528542 568625661 /nfs/dbraw/zinc/62/56/61/568625661.db2.gz UKJLHUCJGRMCGR-UHFFFAOYSA-N 0 0 407.791 4.632 40 5 HJBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000020610986 568636415 /nfs/dbraw/zinc/63/64/15/568636415.db2.gz CPBOUPWZLBCQHY-UHFFFAOYSA-N 0 0 421.844 4.851 40 5 HJBBRN CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 ZINC000225537817 568772289 /nfs/dbraw/zinc/77/22/89/568772289.db2.gz PCRLSNKGWZKCDY-UHFFFAOYSA-N 0 0 412.486 4.851 40 5 HJBBRN O=[N+]([O-])c1ccccc1SNc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 ZINC000005946116 568831365 /nfs/dbraw/zinc/83/13/65/568831365.db2.gz KZRHGLBGHBYTBA-UHFFFAOYSA-N 0 0 400.437 4.653 40 5 HJBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222978794 568907234 /nfs/dbraw/zinc/90/72/34/568907234.db2.gz DHTKQBVLAOIJOU-RTWAWAEBSA-N 0 0 421.526 4.553 40 5 HJBBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218051776 568924805 /nfs/dbraw/zinc/92/48/05/568924805.db2.gz FBFSEVBAWFZAFR-GOSISDBHSA-N 0 0 400.500 4.555 40 5 HJBBRN Cc1ccccc1OCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223425345 569003950 /nfs/dbraw/zinc/00/39/50/569003950.db2.gz YZLOQOUUCFHERI-OQKWZONESA-N 0 0 402.450 4.639 40 5 HJBBRN CCc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000223425958 569004003 /nfs/dbraw/zinc/00/40/03/569004003.db2.gz RLWLGHKZLKYBOE-HKOYGPOVSA-N 0 0 416.477 4.893 40 5 HJBBRN Cc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 ZINC000223426049 569004012 /nfs/dbraw/zinc/00/40/12/569004012.db2.gz QEOBHUKNJFHHPY-HAVVHWLPSA-N 0 0 416.477 4.947 40 5 HJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] ZINC000036077484 569086101 /nfs/dbraw/zinc/08/61/01/569086101.db2.gz XLUWPBDJPCVERE-BDXSIMOUSA-N 0 0 424.284 4.696 40 5 HJBBRN CCc1ccc([C@@H]2N[C@@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000036213193 569110740 /nfs/dbraw/zinc/11/07/40/569110740.db2.gz JTRXAGQKEBNGGS-MYGLTJDJSA-N 0 0 411.502 4.514 40 5 HJBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1[N+](=O)[O-] ZINC000014878125 569344913 /nfs/dbraw/zinc/34/49/13/569344913.db2.gz KKCGMCVPXCLUDY-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1C ZINC000033879334 569351483 /nfs/dbraw/zinc/35/14/83/569351483.db2.gz CTOXBEPETSWXSY-UHFFFAOYSA-N 0 0 409.467 4.907 40 5 HJBBRN CCCOc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000108223695 569353481 /nfs/dbraw/zinc/35/34/81/569353481.db2.gz OWMCYKHPKPJQBA-UHFFFAOYSA-N 0 0 423.263 4.797 40 5 HJBBRN O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCCC3)cc2Br)cc1 ZINC000109047377 569353689 /nfs/dbraw/zinc/35/36/89/569353689.db2.gz FVQMUTPIWNFPTQ-UHFFFAOYSA-N 0 0 421.316 4.708 40 5 HJBBRN CCOc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1Cl ZINC000010010566 569394860 /nfs/dbraw/zinc/39/48/60/569394860.db2.gz AVQOQDPCNGKZDL-UHFFFAOYSA-N 0 0 407.835 4.518 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCC(C)C)cc3)nc21 ZINC000010010644 569394895 /nfs/dbraw/zinc/39/48/95/569394895.db2.gz GUYWWDIKVCDOPP-UHFFFAOYSA-N 0 0 401.444 4.500 40 5 HJBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 ZINC000260756137 569409653 /nfs/dbraw/zinc/40/96/53/569409653.db2.gz DPQMJULSCUARIY-LPTQZCDUSA-N 0 0 419.510 4.760 40 5 HJBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 ZINC000260788385 569409705 /nfs/dbraw/zinc/40/97/05/569409705.db2.gz ZQBMZWGUQYZSOC-LPTQZCDUSA-N 0 0 419.510 4.760 40 5 HJBBRN COc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000035018431 557259373 /nfs/dbraw/zinc/25/93/73/557259373.db2.gz RRHTYIOFFLCGEI-UHFFFAOYSA-N 0 0 416.069 4.741 40 5 HJBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)NCc1ccco1 ZINC000035313593 557689399 /nfs/dbraw/zinc/68/93/99/557689399.db2.gz HLWZUYJZJMHPCA-UHFFFAOYSA-N 0 0 420.519 4.703 40 5 HJBBRN CCCCSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408751253 557812359 /nfs/dbraw/zinc/81/23/59/557812359.db2.gz YKEHIJOIDRIAIY-UHFFFAOYSA-N 0 0 413.480 4.897 40 5 HJBBRN Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 ZINC000004893560 559198070 /nfs/dbraw/zinc/19/80/70/559198070.db2.gz OTHCBBJATXSACR-UHFFFAOYSA-N 0 0 416.886 4.952 40 5 HJBBRN CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 ZINC000408577171 559219205 /nfs/dbraw/zinc/21/92/05/559219205.db2.gz YQGUTBVCYBSJQW-KRWDZBQOSA-N 0 0 404.492 4.547 40 5 HJBBRN Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2ccccc2O)c(C)c1 ZINC000408607807 559221341 /nfs/dbraw/zinc/22/13/41/559221341.db2.gz UYZPDOUSNPMZOS-UHFFFAOYSA-N 0 0 419.466 4.711 40 5 HJBBRN CC(C)COc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000408599919 559221445 /nfs/dbraw/zinc/22/14/45/559221445.db2.gz OLRUZWPDRUTHKL-ODLFYWEKSA-N 0 0 412.467 4.866 40 5 HJBBRN Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1[N+](=O)[O-] ZINC000408622695 559221854 /nfs/dbraw/zinc/22/18/54/559221854.db2.gz QTDPRBFPDJAHDE-UHFFFAOYSA-N 0 0 400.390 4.929 40 5 HJBBRN CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCC ZINC000408625610 559221929 /nfs/dbraw/zinc/22/19/29/559221929.db2.gz XPWNQMBAHCVTPW-UHFFFAOYSA-N 0 0 423.263 4.715 40 5 HJBBRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408680513 559224439 /nfs/dbraw/zinc/22/44/39/559224439.db2.gz ZPFXQENAVUSZKK-UHFFFAOYSA-N 0 0 413.433 4.953 40 5 HJBBRN Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000408694984 559224489 /nfs/dbraw/zinc/22/44/89/559224489.db2.gz NGVQPTYQAAOGQB-UHFFFAOYSA-N 0 0 417.400 4.542 40 5 HJBBRN Cc1ccc2nc3sc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c(N)c3cc2c1 ZINC000004994005 559225173 /nfs/dbraw/zinc/22/51/73/559225173.db2.gz RRMXPEFJPGCBLV-UHFFFAOYSA-N 0 0 403.423 4.965 40 5 HJBBRN O=c1nc(Cc2ccccc2)n(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000001372467 560578129 /nfs/dbraw/zinc/57/81/29/560578129.db2.gz DKNLWCXQXJOQRD-UHFFFAOYSA-N 0 0 405.841 4.597 40 5 HJBBRN O=C(COC(=O)c1ccc(CSCc2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000021085518 568461264 /nfs/dbraw/zinc/46/12/64/568461264.db2.gz ZMNJWOMTIKFUBZ-UHFFFAOYSA-N 0 0 411.435 4.661 40 5 HJBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020142748 568590161 /nfs/dbraw/zinc/59/01/61/568590161.db2.gz SOSXXJQIISLQEM-UHFFFAOYSA-N 0 0 421.453 4.508 40 5 HJBBRN Cc1c(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cccc1[N+](=O)[O-] ZINC000020411028 568605036 /nfs/dbraw/zinc/60/50/36/568605036.db2.gz PHTHWXWWBXLQRV-UHFFFAOYSA-N 0 0 422.422 4.611 40 5 HJBBRN CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccc(C)cc3nc21 ZINC000021595113 568722397 /nfs/dbraw/zinc/72/23/97/568722397.db2.gz CAGQERYYTSYTHZ-UHFFFAOYSA-N 0 0 403.442 4.854 40 5 HJBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 ZINC000222709293 568769076 /nfs/dbraw/zinc/76/90/76/568769076.db2.gz DPQMJULSCUARIY-IPHXSNPTSA-N 0 0 419.510 4.760 40 5 HJBBRN CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cs1 ZINC000226092768 568785071 /nfs/dbraw/zinc/78/50/71/568785071.db2.gz FWDHLUZUCAHHEG-UHFFFAOYSA-N 0 0 418.862 4.674 40 5 HJBBRN CCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302922576 568785176 /nfs/dbraw/zinc/78/51/76/568785176.db2.gz VKNCBMVLZHDBMN-UHFFFAOYSA-N 0 0 408.405 4.967 40 5 HJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222901961 568823887 /nfs/dbraw/zinc/82/38/87/568823887.db2.gz CKMYIQLSOQZRNP-PMACEKPBSA-N 0 0 408.483 4.632 40 5 HJBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(OC)c1 ZINC000224590562 569072382 /nfs/dbraw/zinc/07/23/82/569072382.db2.gz VVJPTOUQAYCVMI-UHFFFAOYSA-N 0 0 422.437 4.833 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017092710 569273853 /nfs/dbraw/zinc/27/38/53/569273853.db2.gz KTMDWOOHMFWNDN-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000017089943 569274056 /nfs/dbraw/zinc/27/40/56/569274056.db2.gz DSVMLUGODGAMPZ-UHFFFAOYSA-N 0 0 414.512 4.629 40 5 HJBBRN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000017092836 569274141 /nfs/dbraw/zinc/27/41/41/569274141.db2.gz TUMWZROISMBOEX-UHFFFAOYSA-N 0 0 421.906 4.862 40 5 HJBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017088426 569274169 /nfs/dbraw/zinc/27/41/69/569274169.db2.gz CMACKCHOXNQNFO-UHFFFAOYSA-N 0 0 410.367 4.625 40 5 HJBBRN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214998780 569323705 /nfs/dbraw/zinc/32/37/05/569323705.db2.gz JQOVJHOCAFTLDR-OQLLNIDSSA-N 0 0 408.357 4.850 40 5 HJBBRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215013732 569324769 /nfs/dbraw/zinc/32/47/69/569324769.db2.gz GXZJRWJLELVDLZ-LICLKQGHSA-N 0 0 418.858 4.883 40 5 HJBBRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c1 ZINC000006707105 569334476 /nfs/dbraw/zinc/33/44/76/569334476.db2.gz KMBPTZNWXLEVTG-UHFFFAOYSA-N 0 0 412.511 4.935 40 5 HJBBRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000007161057 569336877 /nfs/dbraw/zinc/33/68/77/569336877.db2.gz WFLRACAPMKMXPK-UHFFFAOYSA-N 0 0 412.471 4.673 40 5 HJBBRN Cc1noc(/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1[N+](=O)[O-] ZINC000108279277 569353607 /nfs/dbraw/zinc/35/36/07/569353607.db2.gz RMYTYCAIKZRYCK-DAXSKMNVSA-N 0 0 420.175 4.992 40 5 HJBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)cc3)oc2cc1C ZINC000010120369 569395187 /nfs/dbraw/zinc/39/51/87/569395187.db2.gz HVMXIKIMXRWEOE-UHFFFAOYSA-N 0 0 401.422 4.950 40 5 HJBBRN Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1[N+](=O)[O-] ZINC000007956633 569408492 /nfs/dbraw/zinc/40/84/92/569408492.db2.gz QVYFMGZMXGJQRK-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020141146 527098255 /nfs/dbraw/zinc/09/82/55/527098255.db2.gz UPAINMTVZQWBTJ-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN CC(C)Nc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000013633097 558848901 /nfs/dbraw/zinc/84/89/01/558848901.db2.gz XTNUXSCMHTYATF-UHFFFAOYSA-N 0 0 424.545 4.675 40 5 HJBBRN COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000072229949 559170130 /nfs/dbraw/zinc/17/01/30/559170130.db2.gz SFTMYAWKYYTVPG-HXUWFJFHSA-N 0 0 412.829 4.591 40 5 HJBBRN C[C@H]1CCCCN1c1cc(NC(=O)COc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229609 559170181 /nfs/dbraw/zinc/17/01/81/559170181.db2.gz SDQWKEBABFBNNJ-AWEZNQCLSA-N 0 0 403.866 4.645 40 5 HJBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408556605 559218101 /nfs/dbraw/zinc/21/81/01/559218101.db2.gz JSDHVQNFQHUOGD-UHFFFAOYSA-N 0 0 421.453 4.541 40 5 HJBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC ZINC000408568689 559218465 /nfs/dbraw/zinc/21/84/65/559218465.db2.gz IIMGDBGERYRVEI-OAHLLOKOSA-N 0 0 419.275 4.746 40 5 HJBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl ZINC000408573693 559218770 /nfs/dbraw/zinc/21/87/70/559218770.db2.gz UDQIAFGBSGDBRO-GOSISDBHSA-N 0 0 418.906 4.656 40 5 HJBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl ZINC000408573923 559219290 /nfs/dbraw/zinc/21/92/90/559219290.db2.gz UDQIAFGBSGDBRO-SFHVURJKSA-N 0 0 418.906 4.656 40 5 HJBBRN CC1(C)CC(=O)c2c(nc3c(c2-c2cccc([N+](=O)[O-])c2)[C@H](O)c2ccccc2-3)C1 ZINC000408992089 559236619 /nfs/dbraw/zinc/23/66/19/559236619.db2.gz ZMLSEFQIGFDIHO-HSZRJFAPSA-N 0 0 400.434 4.874 40 5 HJBBRN O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 ZINC000409179058 559243561 /nfs/dbraw/zinc/24/35/61/559243561.db2.gz MUFJHDJTSXBGAA-UHFFFAOYSA-N 0 0 420.421 4.849 40 5 HJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000409390978 560718836 /nfs/dbraw/zinc/71/88/36/560718836.db2.gz WSFBUSRXAPZJEN-UHFFFAOYSA-N 0 0 408.361 4.625 40 5 HJBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1OC ZINC000224247033 568575249 /nfs/dbraw/zinc/57/52/49/568575249.db2.gz KMPFIVWREGHLGT-UHFFFAOYSA-N 0 0 422.437 4.752 40 5 HJBBRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000019927360 568585683 /nfs/dbraw/zinc/58/56/83/568585683.db2.gz VAXPGCSFPKAZMB-UHFFFAOYSA-N 0 0 409.254 4.662 40 5 HJBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020142796 568590211 /nfs/dbraw/zinc/59/02/11/568590211.db2.gz ASYJVFKCSGAPLZ-UHFFFAOYSA-N 0 0 421.453 4.590 40 5 HJBBRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000020412101 568604740 /nfs/dbraw/zinc/60/47/40/568604740.db2.gz ZVAZUMASTFMGHV-UHFFFAOYSA-N 0 0 412.442 4.735 40 5 HJBBRN COc1cccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)c1 ZINC000021579210 568719843 /nfs/dbraw/zinc/71/98/43/568719843.db2.gz VRALIYVUZFBBDG-UHFFFAOYSA-N 0 0 403.394 4.972 40 5 HJBBRN Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000000930732 568751066 /nfs/dbraw/zinc/75/10/66/568751066.db2.gz NGVLNHLRKGZVDJ-UHFFFAOYSA-N 0 0 405.841 4.982 40 5 HJBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225564835 568773990 /nfs/dbraw/zinc/77/39/90/568773990.db2.gz PMWMOWVVXNPFPT-KRWDZBQOSA-N 0 0 412.486 4.767 40 5 HJBBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000226768791 568823541 /nfs/dbraw/zinc/82/35/41/568823541.db2.gz MWTFWBLJDSMMIR-UHFFFAOYSA-N 0 0 423.812 4.559 40 5 HJBBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000003011914 568837923 /nfs/dbraw/zinc/83/79/23/568837923.db2.gz NGDKPMVSPCODHB-CXUHLZMHSA-N 0 0 402.453 4.512 40 5 HJBBRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000059212936 568946436 /nfs/dbraw/zinc/94/64/36/568946436.db2.gz PQAIASBKZXXOBO-UHFFFAOYSA-N 0 0 418.862 4.646 40 5 HJBBRN Cc1c(NC(=O)COc2ccc(C(C)C)cc2Br)cccc1[N+](=O)[O-] ZINC000218872011 568950234 /nfs/dbraw/zinc/95/02/34/568950234.db2.gz HENJWFMLYDQBLD-UHFFFAOYSA-N 0 0 407.264 4.807 40 5 HJBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 ZINC000006226092 569033491 /nfs/dbraw/zinc/03/34/91/569033491.db2.gz BRCNZGFISYSAOW-UHFFFAOYSA-N 0 0 402.863 4.502 40 5 HJBBRN CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C)cc1)=N2 ZINC000006631026 569075676 /nfs/dbraw/zinc/07/56/76/569075676.db2.gz YKFOMWIYGVELOP-UHFFFAOYSA-N 0 0 400.438 4.736 40 5 HJBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000017092695 569273729 /nfs/dbraw/zinc/27/37/29/569273729.db2.gz BLPJVCATQSDHLX-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017092704 569274261 /nfs/dbraw/zinc/27/42/61/569274261.db2.gz MKNRGKFBNSTPPL-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000017088240 569274313 /nfs/dbraw/zinc/27/43/13/569274313.db2.gz KMNXFLGKKGMWJS-UHFFFAOYSA-N 0 0 409.467 4.907 40 5 HJBBRN CCNc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006311978 569330590 /nfs/dbraw/zinc/33/05/90/569330590.db2.gz UUQHKIRHUMHSRK-JOCHJYFZSA-N 0 0 404.422 4.808 40 5 HJBBRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007929530 569338616 /nfs/dbraw/zinc/33/86/16/569338616.db2.gz ZHUMHYZDSIAYLW-INIZCTEOSA-N 0 0 410.470 4.549 40 5 HJBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000033794153 569351422 /nfs/dbraw/zinc/35/14/22/569351422.db2.gz CDCGUHWJURJMGN-CLFYSBASSA-N 0 0 411.370 4.557 40 5 HJBBRN Cc1c(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cccc1[N+](=O)[O-] ZINC000027831584 569397981 /nfs/dbraw/zinc/39/79/81/569397981.db2.gz ONQKWIZWBHHOJS-UHFFFAOYSA-N 0 0 417.796 4.702 40 5 HJBBRN O=[N+]([O-])c1ccccc1CNc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000328979242 569423032 /nfs/dbraw/zinc/42/30/32/569423032.db2.gz GFSSXBOFTGHXAA-UHFFFAOYSA-N 0 0 408.767 4.758 40 5 HJBBRN O=[N+]([O-])c1cccc(CNc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000328990336 569423229 /nfs/dbraw/zinc/42/32/29/569423229.db2.gz INRSAJVRAPIRTA-UHFFFAOYSA-N 0 0 408.767 4.758 40 5 HJBBRN O=[N+]([O-])c1ccccc1CNc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1 ZINC000329051466 571308235 /nfs/dbraw/zinc/30/82/35/571308235.db2.gz UXUOOCBGUBQNHR-UHFFFAOYSA-N 0 0 408.767 5.336 40 5 HJBBRN CC(C)n1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398706 520013039 /nfs/dbraw/zinc/01/30/39/520013039.db2.gz SJVJJQYWHQYOEZ-UHFFFAOYSA-N 0 0 400.265 4.588 40 5 HJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000408541180 559217185 /nfs/dbraw/zinc/21/71/85/559217185.db2.gz BUSZJBVXDFHGND-VMPITWQZSA-N 0 0 412.358 4.556 40 5 HJBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408541666 559217255 /nfs/dbraw/zinc/21/72/55/559217255.db2.gz FBTSHAWYWDYBQY-POHAHGRESA-N 0 0 411.370 4.557 40 5 HJBBRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000408562521 559218185 /nfs/dbraw/zinc/21/81/85/559218185.db2.gz QOEOAFXXPCKCPW-VZCXRCSSSA-N 0 0 401.875 4.848 40 5 HJBBRN O=C(COc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000408609135 559221329 /nfs/dbraw/zinc/22/13/29/559221329.db2.gz OGKBWPJCSQWNNC-UHFFFAOYSA-N 0 0 411.845 4.878 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408694696 559224442 /nfs/dbraw/zinc/22/44/42/559224442.db2.gz LVTFNQPWULHPRV-UHFFFAOYSA-N 0 0 419.828 4.748 40 5 HJBBRN O=C1NC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409171796 559243680 /nfs/dbraw/zinc/24/36/80/559243680.db2.gz AOMAJDZZFZUOSB-BOPFTXTBSA-N 0 0 409.785 4.606 40 5 HJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409228275 559245681 /nfs/dbraw/zinc/24/56/81/559245681.db2.gz WQBFGSDCTDNEDT-XDHOZWIPSA-N 0 0 417.421 4.565 40 5 HJBBRN CC1CCN(C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 ZINC000408974840 560660087 /nfs/dbraw/zinc/66/00/87/560660087.db2.gz HIODYYLOQDAEQJ-UHFFFAOYSA-N 0 0 407.477 4.752 40 5 HJBBRN COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O ZINC000409241458 560702357 /nfs/dbraw/zinc/70/23/57/560702357.db2.gz XPVYPDLGHIUGLK-YBEGLDIGSA-N 0 0 422.846 4.581 40 5 HJBBRN O=C1S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000409344058 560712014 /nfs/dbraw/zinc/71/20/14/560712014.db2.gz GMYCROHLWAFYGS-UYRXBGFRSA-N 0 0 405.435 4.686 40 5 HJBBRN Cc1cc(C)nc(Nc2ncc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)n1 ZINC000010381860 560768536 /nfs/dbraw/zinc/76/85/36/560768536.db2.gz ZODHUWLFNAODEE-UHFFFAOYSA-N 0 0 404.405 4.737 40 5 HJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000021123871 568461675 /nfs/dbraw/zinc/46/16/75/568461675.db2.gz RLXUKYDHEHOBRQ-UHFFFAOYSA-N 0 0 417.761 4.677 40 5 HJBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020412126 568604849 /nfs/dbraw/zinc/60/48/49/568604849.db2.gz JFPLXPRZVYBDLP-UHFFFAOYSA-N 0 0 402.834 4.990 40 5 HJBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000020610542 568636435 /nfs/dbraw/zinc/63/64/35/568636435.db2.gz JJKFSCVXNVNKSG-UHFFFAOYSA-N 0 0 401.426 4.704 40 5 HJBBRN CC(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000000930729 568750897 /nfs/dbraw/zinc/75/08/97/568750897.db2.gz RKSFKNJXDAKCPL-UHFFFAOYSA-N 0 0 413.433 4.531 40 5 HJBBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000222630241 568765806 /nfs/dbraw/zinc/76/58/06/568765806.db2.gz FJYFHGHKGHNWOV-GBLZOACLSA-N 0 0 406.467 4.839 40 5 HJBBRN O=C(OCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005893643 568828406 /nfs/dbraw/zinc/82/84/06/568828406.db2.gz ACTCJMJXPOAOBB-UHFFFAOYSA-N 0 0 402.746 4.773 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000059500397 568956734 /nfs/dbraw/zinc/95/67/34/568956734.db2.gz GUZQUGHRGNYXBL-ZQFKLAOWSA-N 0 0 424.456 4.556 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000059500390 568956854 /nfs/dbraw/zinc/95/68/54/568956854.db2.gz MAXUGBKMBSLEER-QQNJPBSNSA-N 0 0 424.456 4.556 40 5 HJBBRN O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)nc1 ZINC000223995324 569032945 /nfs/dbraw/zinc/03/29/45/569032945.db2.gz JVRKMXNTPIMOTB-UHFFFAOYSA-N 0 0 404.923 4.832 40 5 HJBBRN COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(OC)c1 ZINC000016635421 569061099 /nfs/dbraw/zinc/06/10/99/569061099.db2.gz LDXHHGIZXFMCHA-UHFFFAOYSA-N 0 0 402.790 4.778 40 5 HJBBRN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006571503 569066669 /nfs/dbraw/zinc/06/66/69/569066669.db2.gz ZWTMQRJEZYFDMT-UHFFFAOYSA-N 0 0 418.291 4.827 40 5 HJBBRN Cc1c(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] ZINC000017091239 569273743 /nfs/dbraw/zinc/27/37/43/569273743.db2.gz YMPFJZRYKSMCJX-UHFFFAOYSA-N 0 0 417.796 4.702 40 5 HJBBRN Cc1cc([N+](=O)[O-])cc2nc(-c3cc(I)ccc3Cl)oc21 ZINC000226237164 569278619 /nfs/dbraw/zinc/27/86/19/569278619.db2.gz VPDRBVNWVPKFSD-UHFFFAOYSA-N 0 0 414.586 4.969 40 5 HJBBRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 ZINC000016281881 569345133 /nfs/dbraw/zinc/34/51/33/569345133.db2.gz CTCHVMMLUJLZRI-UHFFFAOYSA-N 0 0 407.430 4.669 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(C)cc3Cl)nc21 ZINC000010010673 569394995 /nfs/dbraw/zinc/39/49/95/569394995.db2.gz GFCLPUZPSHTPOY-UHFFFAOYSA-N 0 0 421.862 4.501 40 5 HJBBRN Cc1cc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1Cl ZINC000040870388 571246010 /nfs/dbraw/zinc/24/60/10/571246010.db2.gz WZJGHFZRNDTDEJ-UHFFFAOYSA-N 0 0 403.847 4.698 40 5 HJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000032118936 571306871 /nfs/dbraw/zinc/30/68/71/571306871.db2.gz ICULNVZCJJPBTI-UHFFFAOYSA-N 0 0 414.512 4.674 40 5 HJBBRN C[C@@H]1[C@@H]2NC(=S)N(c3ccccc3C(F)(F)F)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002686049 132256740 /nfs/dbraw/zinc/25/67/40/132256740.db2.gz INWAIRBJADEMBM-KAWXRDEMSA-N 0 0 423.416 4.794 40 5 HJBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000408604718 557527349 /nfs/dbraw/zinc/52/73/49/557527349.db2.gz DWINOFYENGNETE-UHFFFAOYSA-N 0 0 421.453 4.623 40 5 HJBBRN CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006388204 557700984 /nfs/dbraw/zinc/70/09/84/557700984.db2.gz KSKJNMPQAXUETO-UHFFFAOYSA-N 0 0 409.467 4.852 40 5 HJBBRN COc1ccccc1C(=O)Nc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl ZINC000072229536 559169971 /nfs/dbraw/zinc/16/99/71/559169971.db2.gz UDFMHJKMDBEHBT-CYBMUJFWSA-N 0 0 403.866 4.888 40 5 HJBBRN COc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229564 559170192 /nfs/dbraw/zinc/17/01/92/559170192.db2.gz ASUMYYPQKXBQRG-UHFFFAOYSA-N 0 0 403.866 4.745 40 5 HJBBRN CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC ZINC000408571525 559219293 /nfs/dbraw/zinc/21/92/93/559219293.db2.gz OVAHWZDRFFMWHI-OAHLLOKOSA-N 0 0 419.275 4.746 40 5 HJBBRN CCOc1ccccc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000408572403 559219303 /nfs/dbraw/zinc/21/93/03/559219303.db2.gz RASWSNHKZSNOFE-GOSISDBHSA-N 0 0 418.906 4.738 40 5 HJBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408622775 559221849 /nfs/dbraw/zinc/22/18/49/559221849.db2.gz RLIKAQLCHWOBFC-UHFFFAOYSA-N 0 0 401.216 4.771 40 5 HJBBRN Cc1nc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br ZINC000408624580 559221903 /nfs/dbraw/zinc/22/19/03/559221903.db2.gz XXHUGGIAKDALEL-UHFFFAOYSA-N 0 0 402.204 4.573 40 5 HJBBRN COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 ZINC000408625153 559221910 /nfs/dbraw/zinc/22/19/10/559221910.db2.gz XABBYQIXOVGOJL-UHFFFAOYSA-N 0 0 402.790 4.778 40 5 HJBBRN O=C1NC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409066472 559239610 /nfs/dbraw/zinc/23/96/10/559239610.db2.gz OVDREZDXWJZSMH-BOPFTXTBSA-N 0 0 409.785 4.606 40 5 HJBBRN O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccccc1 ZINC000409229059 559245727 /nfs/dbraw/zinc/24/57/27/559245727.db2.gz JDWSAIHNYVQJIW-WOJGMQOQSA-N 0 0 423.812 4.601 40 5 HJBBRN Cc1cc(NC(=O)CSc2ncnc3c4cc5ccc(C)cc5nc4sc32)no1 ZINC000001327858 560573587 /nfs/dbraw/zinc/57/35/87/560573587.db2.gz ZUTGONPTQFFFMR-UHFFFAOYSA-N 0 0 421.507 4.728 40 5 HJBBRN CCOc1ccc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2c1 ZINC000004994016 560619544 /nfs/dbraw/zinc/61/95/44/560619544.db2.gz YFMURGAHXIPUOB-UHFFFAOYSA-N 0 0 408.439 4.591 40 5 HJBBRN Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409173934 560686897 /nfs/dbraw/zinc/68/68/97/560686897.db2.gz PTQGCMYEVNGNDN-UHFFFAOYSA-N 0 0 405.406 4.522 40 5 HJBBRN COC(=O)c1c(C)n(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c2ccccc21 ZINC000226768408 568823495 /nfs/dbraw/zinc/82/34/95/568823495.db2.gz OXRHXNHUBCPVBN-UHFFFAOYSA-N 0 0 418.405 4.901 40 5 HJBBRN CCN(CC)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000059294448 568950169 /nfs/dbraw/zinc/95/01/69/568950169.db2.gz JNPSYBPSQWRNFH-UHFFFAOYSA-N 0 0 410.518 4.930 40 5 HJBBRN Cc1ccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008040403 568969288 /nfs/dbraw/zinc/96/92/88/568969288.db2.gz FZURJSSCPIJINN-UHFFFAOYSA-N 0 0 418.449 4.955 40 5 HJBBRN O=C(Nc1ccc2oc(=O)ccc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000008072136 568971438 /nfs/dbraw/zinc/97/14/38/568971438.db2.gz KMAZIYACTYJBAQ-UHFFFAOYSA-N 0 0 400.799 4.822 40 5 HJBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000008071625 568971391 /nfs/dbraw/zinc/97/13/91/568971391.db2.gz YARNDHXOBBRWGV-UHFFFAOYSA-N 0 0 401.216 4.547 40 5 HJBBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](c3cccs3)C2)cc1 ZINC000016216468 569029880 /nfs/dbraw/zinc/02/98/80/569029880.db2.gz BSIGYHJPXXSUKR-LJQANCHMSA-N 0 0 424.438 4.929 40 5 HJBBRN O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 ZINC000001843050 569056473 /nfs/dbraw/zinc/05/64/73/569056473.db2.gz KCEDGJCNSXBJOR-RPWUZVMVSA-N 0 0 421.541 4.859 40 5 HJBBRN COc1cccc(OCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2OC)c1 ZINC000224259360 569056641 /nfs/dbraw/zinc/05/66/41/569056641.db2.gz MRGMQANUWWTNOO-UHFFFAOYSA-N 0 0 422.437 4.752 40 5 HJBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Br ZINC000001514677 569060406 /nfs/dbraw/zinc/06/04/06/569060406.db2.gz RJDWYHBRSGGXEY-UHFFFAOYSA-N 0 0 404.245 4.733 40 5 HJBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1OC ZINC000224579400 569072053 /nfs/dbraw/zinc/07/20/53/569072053.db2.gz AVJAVUSCNWAZFO-UHFFFAOYSA-N 0 0 422.437 4.833 40 5 HJBBRN CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017088239 569273560 /nfs/dbraw/zinc/27/35/60/569273560.db2.gz ROTUVEPAFLZZNT-UHFFFAOYSA-N 0 0 409.467 4.852 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000017091651 569273845 /nfs/dbraw/zinc/27/38/45/569273845.db2.gz DJPWJRMREVMYPC-UHFFFAOYSA-N 0 0 418.689 4.990 40 5 HJBBRN COC(=O)c1ccc(COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)o1 ZINC000524732103 569291533 /nfs/dbraw/zinc/29/15/33/569291533.db2.gz XFHMCMIQOMRXMW-UHFFFAOYSA-N 0 0 424.412 4.551 40 5 biogenic HJBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000007363390 569337502 /nfs/dbraw/zinc/33/75/02/569337502.db2.gz HPNPBRDSHWTRML-UHFFFAOYSA-N 0 0 414.508 4.996 40 5 HJBBRN COc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1OC ZINC000010039706 569342713 /nfs/dbraw/zinc/34/27/13/569342713.db2.gz WCMIWEFHNHMWLC-UHFFFAOYSA-N 0 0 409.394 4.761 40 5 HJBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000033569867 569350577 /nfs/dbraw/zinc/35/05/77/569350577.db2.gz DTEWWKJLONZMAZ-UHFFFAOYSA-N 0 0 405.823 4.586 40 5 HJBBRN Cc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1[N+](=O)[O-] ZINC000008902731 569390842 /nfs/dbraw/zinc/39/08/42/569390842.db2.gz BHBVFWKPMPBQKD-UHFFFAOYSA-N 0 0 422.422 4.611 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(OCC(C)C)c3)nc21 ZINC000010010641 569394930 /nfs/dbraw/zinc/39/49/30/569394930.db2.gz ZWZMJDUYRADRIY-UHFFFAOYSA-N 0 0 401.444 4.500 40 5 HJBBRN O=C(Nc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1)c1ccco1 ZINC000010372874 569395900 /nfs/dbraw/zinc/39/59/00/569395900.db2.gz KTGDGTVOZDCNLR-UHFFFAOYSA-N 0 0 419.437 4.891 40 5 HJBBRN CCOc1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000010448490 569396029 /nfs/dbraw/zinc/39/60/29/569396029.db2.gz JXFMGWDJGNJKMX-XQNSMLJCSA-N 0 0 402.450 4.851 40 5 HJBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)cc1 ZINC000013389634 569413127 /nfs/dbraw/zinc/41/31/27/569413127.db2.gz BYEVKGGLFFNGRC-UHFFFAOYSA-N 0 0 421.254 4.791 40 5 HJBBRN COc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229566 559169906 /nfs/dbraw/zinc/16/99/06/559169906.db2.gz FKYNNGDLAIERNL-ZDUSSCGKSA-N 0 0 403.866 4.888 40 5 HJBBRN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000408620373 559221746 /nfs/dbraw/zinc/22/17/46/559221746.db2.gz MECHJDAEFNDXDB-UHFFFAOYSA-N 0 0 402.790 4.778 40 5 HJBBRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)c1 ZINC000408694282 559224450 /nfs/dbraw/zinc/22/44/50/559224450.db2.gz IJCJWIMOFUAHCX-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)cc2)cc1 ZINC000408696323 559224511 /nfs/dbraw/zinc/22/45/11/559224511.db2.gz ZSSKGINDBLAACH-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(O)cc1 ZINC000408847870 559229016 /nfs/dbraw/zinc/22/90/16/559229016.db2.gz VOCAZTFALIYGEV-NTUHNPAUSA-N 0 0 400.799 4.513 40 5 HJBBRN COC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408925850 560654653 /nfs/dbraw/zinc/65/46/53/560654653.db2.gz QZVVJGWLWRSAMT-HMMYKYKNSA-N 0 0 402.406 4.561 40 5 HJBBRN O=C(NCCSCc1ccco1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408924346 560654869 /nfs/dbraw/zinc/65/48/69/560654869.db2.gz GZQKKZMOFMDZGA-RCCKNPSSSA-N 0 0 408.479 4.778 40 5 HJBBRN O=C(NCc1ccccc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408975486 560660225 /nfs/dbraw/zinc/66/02/25/560660225.db2.gz KYYNWEYSPZYAMG-UHFFFAOYSA-N 0 0 415.456 4.809 40 5 HJBBRN COc1cccc(NC(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)c1 ZINC000408994553 560663170 /nfs/dbraw/zinc/66/31/70/560663170.db2.gz GQFXACZFUMEZGW-UHFFFAOYSA-N 0 0 420.494 4.618 40 5 HJBBRN O=C(NCCSCc1c(F)cccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409029219 560667705 /nfs/dbraw/zinc/66/77/05/560667705.db2.gz WRQTVVXNGGDZRJ-UHFFFAOYSA-N 0 0 403.262 4.704 40 5 HJBBRN Cc1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1[N+](=O)[O-] ZINC000409181785 560688502 /nfs/dbraw/zinc/68/85/02/560688502.db2.gz DWADKEPDXFATFO-UHFFFAOYSA-N 0 0 408.366 4.961 40 5 HJBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000106681785 560892994 /nfs/dbraw/zinc/89/29/94/560892994.db2.gz SUTIAZGJZBSJRH-DHDCSXOGSA-N 0 0 419.256 4.594 40 5 HJBBRN COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000022396713 568485352 /nfs/dbraw/zinc/48/53/52/568485352.db2.gz NVDQJLSFTYGDPW-UHFFFAOYSA-N 0 0 402.790 4.778 40 5 HJBBRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020145111 568590168 /nfs/dbraw/zinc/59/01/68/568590168.db2.gz QWXYLGNLKXUWAG-YCRREMRBSA-N 0 0 412.829 4.961 40 5 HJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020140543 568590327 /nfs/dbraw/zinc/59/03/27/568590327.db2.gz JQJJMGAZEGFSHU-UHFFFAOYSA-N 0 0 404.378 4.859 40 5 HJBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 ZINC000020411788 568605023 /nfs/dbraw/zinc/60/50/23/568605023.db2.gz HJEBGRNENOBXCD-UHFFFAOYSA-N 0 0 419.846 4.675 40 5 HJBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000021580499 568719942 /nfs/dbraw/zinc/71/99/42/568719942.db2.gz RAHVIRZXFCICLG-UHFFFAOYSA-N 0 0 402.410 4.707 40 5 HJBBRN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000957922 568756941 /nfs/dbraw/zinc/75/69/41/568756941.db2.gz MEDVFEGEZQRUSX-UHFFFAOYSA-N 0 0 403.847 4.698 40 5 HJBBRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000222630173 568765845 /nfs/dbraw/zinc/76/58/45/568765845.db2.gz FJYFHGHKGHNWOV-MRFFXTKBSA-N 0 0 406.467 4.839 40 5 HJBBRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222856634 568821407 /nfs/dbraw/zinc/82/14/07/568821407.db2.gz LWGYRNGQYHWEJA-VQTJNVASSA-N 0 0 408.483 4.631 40 5 HJBBRN Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000226768945 568823525 /nfs/dbraw/zinc/82/35/25/568823525.db2.gz YXMVITNXTZXGSB-UHFFFAOYSA-N 0 0 410.813 4.952 40 5 HJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222901739 568823772 /nfs/dbraw/zinc/82/37/72/568823772.db2.gz XHYXBDKXBXIOBI-UXHICEINSA-N 0 0 408.483 4.632 40 5 HJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000057313653 568826443 /nfs/dbraw/zinc/82/64/43/568826443.db2.gz KDYBFVPBVXJJLG-DHZHZOJOSA-N 0 0 411.414 4.520 40 5 HJBBRN Cc1c(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] ZINC000057317054 568826689 /nfs/dbraw/zinc/82/66/89/568826689.db2.gz LOTUKFICPVHOQV-UHFFFAOYSA-N 0 0 415.243 4.856 40 5 HJBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000222978660 568907226 /nfs/dbraw/zinc/90/72/26/568907226.db2.gz UIFOFNFYKQGXDO-NHCUHLMSSA-N 0 0 421.526 4.553 40 5 HJBBRN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004040886 568935794 /nfs/dbraw/zinc/93/57/94/568935794.db2.gz IVXWFOGCRXFKPR-JTQLQIEISA-N 0 0 413.655 4.725 40 5 HJBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])o2)c1Cl ZINC000059294475 568950286 /nfs/dbraw/zinc/95/02/86/568950286.db2.gz LNYHSJAYMMHUFC-UHFFFAOYSA-N 0 0 421.862 4.837 40 5 HJBBRN COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059409232 568952897 /nfs/dbraw/zinc/95/28/97/568952897.db2.gz DETAHWRXHCODLP-JOCHJYFZSA-N 0 0 421.478 4.879 40 5 HJBBRN CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016161706 569029550 /nfs/dbraw/zinc/02/95/50/569029550.db2.gz WJOARFNBPJBGBW-RTWAWAEBSA-N 0 0 410.470 4.646 40 5 HJBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000017088355 569273521 /nfs/dbraw/zinc/27/35/21/569273521.db2.gz HJWARDYSQMFDKS-UHFFFAOYSA-N 0 0 409.829 4.682 40 5 HJBBRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000017092831 569274256 /nfs/dbraw/zinc/27/42/56/569274256.db2.gz HUVREEUHVPSDSC-UHFFFAOYSA-N 0 0 421.906 4.862 40 5 HJBBRN CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224783997 569289576 /nfs/dbraw/zinc/28/95/76/569289576.db2.gz YAZNFLLAGMSLPL-UHFFFAOYSA-N 0 0 422.812 4.791 40 5 HJBBRN CCCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000034930165 569351665 /nfs/dbraw/zinc/35/16/65/569351665.db2.gz USDDCPGMVKJXHU-UHFFFAOYSA-N 0 0 420.263 4.738 40 5 HJBBRN Cc1cc(I)ccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc21 ZINC000140092571 569354509 /nfs/dbraw/zinc/35/45/09/569354509.db2.gz YQFFSZBPUXHPLD-UHFFFAOYSA-N 0 0 422.178 4.506 40 5 HJBBRN O=[N+]([O-])c1ccc2nc(-c3cc(O)cc(-c4nc5ccc([N+](=O)[O-])cc5o4)c3)oc2c1 ZINC000008906188 569390918 /nfs/dbraw/zinc/39/09/18/569390918.db2.gz UUSNLOWRHHYKOL-UHFFFAOYSA-N 0 0 418.321 4.825 40 5 HJBBRN Cc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000009445986 569392800 /nfs/dbraw/zinc/39/28/00/569392800.db2.gz NTSIRJHRCWALNV-MRXNPFEDSA-N 0 0 404.422 4.806 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc21 ZINC000010010600 569394889 /nfs/dbraw/zinc/39/48/89/569394889.db2.gz ROLRMCGICROANM-UHFFFAOYSA-N 0 0 419.462 4.984 40 5 HJBBRN CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000010010646 569394940 /nfs/dbraw/zinc/39/49/40/569394940.db2.gz SWPWSJDCVVILRR-LLVKDONJSA-N 0 0 401.444 4.643 40 5 HJBBRN CCOC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000010440854 569395965 /nfs/dbraw/zinc/39/59/65/569395965.db2.gz GJCJVVXCULHIRC-PXLXIMEGSA-N 0 0 416.433 4.951 40 5 HJBBRN Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615892 527301642 /nfs/dbraw/zinc/30/16/42/527301642.db2.gz RGABHCFPWDQGLF-UHFFFAOYSA-N 0 0 423.429 4.604 40 5 HJBBRN CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 ZINC000408569107 559218763 /nfs/dbraw/zinc/21/87/63/559218763.db2.gz IVXPRFDLYIYXQC-SFHVURJKSA-N 0 0 400.529 4.716 40 5 HJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(CC)cc2)cc1 ZINC000408577288 559219115 /nfs/dbraw/zinc/21/91/15/559219115.db2.gz YZAVINZWTAGKOL-FQEVSTJZSA-N 0 0 412.515 4.647 40 5 HJBBRN O=Cc1ccc(Sc2nnc(-c3ccccc3O)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000408608461 559221356 /nfs/dbraw/zinc/22/13/56/559221356.db2.gz WKIHVFIGHBXFKB-UHFFFAOYSA-N 0 0 418.434 4.512 40 5 HJBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 ZINC000408624933 559221920 /nfs/dbraw/zinc/22/19/20/559221920.db2.gz VZQXWPZJMOBCKF-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN COC(=O)c1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c2ccccc12 ZINC000226768424 559273975 /nfs/dbraw/zinc/27/39/75/559273975.db2.gz RPTBWOQPROKONI-UHFFFAOYSA-N 0 0 404.378 4.593 40 5 HJBBRN Cc1ccc2nc3sc(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)c(N)c3cc2c1 ZINC000004994004 560619523 /nfs/dbraw/zinc/61/95/23/560619523.db2.gz DZRJRMPDRCCZEY-UHFFFAOYSA-N 0 0 403.423 4.965 40 5 HJBBRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408908575 560652744 /nfs/dbraw/zinc/65/27/44/560652744.db2.gz WJEKAHWXOJKOFI-CJLVFECKSA-N 0 0 416.433 4.951 40 5 HJBBRN CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408925123 560654625 /nfs/dbraw/zinc/65/46/25/560654625.db2.gz MNWNUCVNCDJHAQ-LTGZKZEYSA-N 0 0 416.433 4.951 40 5 HJBBRN Cc1ccc(NC(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1 ZINC000408997900 560663257 /nfs/dbraw/zinc/66/32/57/560663257.db2.gz OUULWOJXTKFUBL-UHFFFAOYSA-N 0 0 402.479 4.672 40 5 HJBBRN COc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409094164 560674672 /nfs/dbraw/zinc/67/46/72/560674672.db2.gz CMIUFJSCVVPLQM-UHFFFAOYSA-N 0 0 410.377 4.663 40 5 HJBBRN Cc1c(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cccc1[N+](=O)[O-] ZINC000409181554 560688501 /nfs/dbraw/zinc/68/85/01/560688501.db2.gz DCRKOVSEXLWUHB-UHFFFAOYSA-N 0 0 408.366 4.961 40 5 HJBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409212889 560695900 /nfs/dbraw/zinc/69/59/00/560695900.db2.gz RZEGOCUKYIFKAV-FRKPEAEDSA-N 0 0 420.830 4.506 40 5 HJBBRN CC(C)c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409341111 560711291 /nfs/dbraw/zinc/71/12/91/560711291.db2.gz CRKSGIXRLINMDH-YBFXNURJSA-N 0 0 410.451 4.637 40 5 HJBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000106701826 560893275 /nfs/dbraw/zinc/89/32/75/560893275.db2.gz KZQUMVXAYUKLAW-MOSHPQCFSA-N 0 0 419.462 4.930 40 5 HJBBRN CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236970 568765580 /nfs/dbraw/zinc/76/55/80/568765580.db2.gz IPXKZLYFSIUXTG-UHFFFAOYSA-N 0 0 419.359 4.509 40 5 HJBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 ZINC000225771463 568781522 /nfs/dbraw/zinc/78/15/22/568781522.db2.gz ZEDUICPQIYLOMX-UHFFFAOYSA-N 0 0 420.465 4.834 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223080298 568913158 /nfs/dbraw/zinc/91/31/58/568913158.db2.gz AEKYWZRQQTYSMP-UHFFFAOYSA-N 0 0 419.412 4.579 40 5 HJBBRN Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O2 ZINC000218051556 568924816 /nfs/dbraw/zinc/92/48/16/568924816.db2.gz XTYSXHYECKQCRM-SFHVURJKSA-N 0 0 400.500 4.555 40 5 HJBBRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000001417354 568929657 /nfs/dbraw/zinc/92/96/57/568929657.db2.gz KNFUBLXCBVXNES-UDWIEESQSA-N 0 0 420.446 4.993 40 5 HJBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000008071628 568971453 /nfs/dbraw/zinc/97/14/53/568971453.db2.gz GBPGHCFWGCBPPR-UHFFFAOYSA-N 0 0 401.216 4.547 40 5 HJBBRN COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 ZINC000017093530 569274489 /nfs/dbraw/zinc/27/44/89/569274489.db2.gz IJLFVKNVPWPFGJ-JXMROGBWSA-N 0 0 423.450 4.569 40 5 HJBBRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007608968 569295038 /nfs/dbraw/zinc/29/50/38/569295038.db2.gz AGFTWEMJBDNGLI-UHFFFAOYSA-N 0 0 401.850 4.563 40 5 HJBBRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000014792828 569344885 /nfs/dbraw/zinc/34/48/85/569344885.db2.gz XLUJIQWWASRQOH-CQSZACIVSA-N 0 0 423.856 4.992 40 5 HJBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000034828044 569351580 /nfs/dbraw/zinc/35/15/80/569351580.db2.gz GZKNYDZKBPHNFA-HJWRWDBZSA-N 0 0 411.370 4.557 40 5 HJBBRN COC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000010295445 569395559 /nfs/dbraw/zinc/39/55/59/569395559.db2.gz HSXWREPCUVQUMG-KGENOOAVSA-N 0 0 402.406 4.561 40 5 HJBBRN Cc1nc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1Br ZINC000010372853 569395862 /nfs/dbraw/zinc/39/58/62/569395862.db2.gz XPBPGALLNJLDSD-UHFFFAOYSA-N 0 0 404.264 4.511 40 5 HJBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000038754503 571079095 /nfs/dbraw/zinc/07/90/95/571079095.db2.gz KNTFDXDTSMGYCV-UHFFFAOYSA-N 0 0 414.508 4.829 40 5 HJBBRN CCCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398701 521390855 /nfs/dbraw/zinc/39/08/55/521390855.db2.gz XYEVJBSNAIAWJN-UHFFFAOYSA-N 0 0 414.292 4.808 40 5 HJBBRN COC(=O)c1ccccc1C=C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001727363 557283244 /nfs/dbraw/zinc/28/32/44/557283244.db2.gz PCAPHPIZUJWEHT-UHFFFAOYSA-N 0 0 404.378 4.879 40 5 HJBBRN Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000006043966 557684980 /nfs/dbraw/zinc/68/49/80/557684980.db2.gz DHSWSRYFBKUASW-UHFFFAOYSA-N 0 0 409.467 4.907 40 5 HJBBRN C[C@@H]1[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000004767736 559053280 /nfs/dbraw/zinc/05/32/80/559053280.db2.gz CYXGNZIVJAFZBP-KAWXRDEMSA-N 0 0 423.416 4.794 40 5 HJBBRN COc1ccc(Nc2nc(Nc3ccc(OC)c(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004853165 559190936 /nfs/dbraw/zinc/19/09/36/559190936.db2.gz YHWACPPBJVAJQL-UHFFFAOYSA-N 0 0 415.837 4.851 40 5 HJBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCCC3)C2=O)c1 ZINC000408533313 559216684 /nfs/dbraw/zinc/21/66/84/559216684.db2.gz OKOGDNMSHDHJLM-UHFFFAOYSA-N 0 0 415.449 4.766 40 5 HJBBRN Cc1c(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cccc1[N+](=O)[O-] ZINC000408629172 559222054 /nfs/dbraw/zinc/22/20/54/559222054.db2.gz NUSIFKCZPRYTJN-UHFFFAOYSA-N 0 0 400.390 4.929 40 5 HJBBRN COc1cccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)c1 ZINC000408839826 559228715 /nfs/dbraw/zinc/22/87/15/559228715.db2.gz WQMMPGHQNBONNX-RIYZIHGNSA-N 0 0 414.826 4.816 40 5 HJBBRN O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 ZINC000409127323 559240849 /nfs/dbraw/zinc/24/08/49/559240849.db2.gz CVKXRDNUUJNFLQ-SFQUDFHCSA-N 0 0 402.859 4.917 40 5 HJBBRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408907782 560651897 /nfs/dbraw/zinc/65/18/97/560651897.db2.gz RONPQSSVJNDTBH-CJLVFECKSA-N 0 0 416.433 4.951 40 5 HJBBRN Cc1ccc(NC(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1C ZINC000408998047 560663388 /nfs/dbraw/zinc/66/33/88/560663388.db2.gz QAYZQRFRHNOMST-UHFFFAOYSA-N 0 0 416.506 4.980 40 5 HJBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409195227 560690224 /nfs/dbraw/zinc/69/02/24/560690224.db2.gz SJQBBIVIYDOHSU-LZYBPNLTSA-N 0 0 420.830 4.506 40 5 HJBBRN CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000024522560 560843494 /nfs/dbraw/zinc/84/34/94/560843494.db2.gz IZUCGDDHQMDCNZ-NHCUHLMSSA-N 0 0 410.470 4.646 40 5 HJBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020145099 568590252 /nfs/dbraw/zinc/59/02/52/568590252.db2.gz DMRIYVWFRJCLNS-RUDMXATFSA-N 0 0 412.829 4.961 40 5 HJBBRN CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000020142475 568590337 /nfs/dbraw/zinc/59/03/37/568590337.db2.gz WULKBTMMLRQDEM-UHFFFAOYSA-N 0 0 416.817 4.652 40 5 HJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccc3c(Cl)cccc23)cc1[N+](=O)[O-] ZINC000020528484 568625830 /nfs/dbraw/zinc/62/58/30/568625830.db2.gz PQTRCMZRGRLRJO-UHFFFAOYSA-N 0 0 401.762 4.571 40 5 HJBBRN O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000000853519 568711964 /nfs/dbraw/zinc/71/19/64/568711964.db2.gz MHOWJBOUSZOPAS-UHFFFAOYSA-N 0 0 401.216 4.797 40 5 HJBBRN Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3)c(=O)[nH]c2c1 ZINC000021581212 568719982 /nfs/dbraw/zinc/71/99/82/568719982.db2.gz BPGRNCJETRIVMQ-UHFFFAOYSA-N 0 0 413.433 4.592 40 5 HJBBRN Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000021595902 568722382 /nfs/dbraw/zinc/72/23/82/568722382.db2.gz BFYYZURITHLZOC-ACCUITESSA-N 0 0 407.451 4.690 40 5 HJBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 ZINC000222709565 568769141 /nfs/dbraw/zinc/76/91/41/568769141.db2.gz ZQBMZWGUQYZSOC-IPHXSNPTSA-N 0 0 419.510 4.760 40 5 HJBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl ZINC000225565705 568773951 /nfs/dbraw/zinc/77/39/51/568773951.db2.gz KKPNGUSPGQMHJJ-UHFFFAOYSA-N 0 0 418.877 4.724 40 5 HJBBRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222847124 568795116 /nfs/dbraw/zinc/79/51/16/568795116.db2.gz KNWLHMJNIGOBDG-WOJBJXKFSA-N 0 0 408.483 4.631 40 5 HJBBRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222856227 568821296 /nfs/dbraw/zinc/82/12/96/568821296.db2.gz QTDOQBFYQJRKRX-PMACEKPBSA-N 0 0 408.483 4.631 40 5 HJBBRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222856576 568821308 /nfs/dbraw/zinc/82/13/08/568821308.db2.gz LWGYRNGQYHWEJA-UXHICEINSA-N 0 0 408.483 4.631 40 5 HJBBRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222937014 568838638 /nfs/dbraw/zinc/83/86/38/568838638.db2.gz GDHVSPUJSXAFGL-RTWAWAEBSA-N 0 0 422.510 4.878 40 5 HJBBRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222946489 568868015 /nfs/dbraw/zinc/86/80/15/568868015.db2.gz JHUCRRAJCDTGSL-NHCUHLMSSA-N 0 0 422.510 4.878 40 5 HJBBRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222945768 568868110 /nfs/dbraw/zinc/86/81/10/568868110.db2.gz VTYINDWPSOZUME-RTWAWAEBSA-N 0 0 422.510 4.878 40 5 HJBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222978916 568907238 /nfs/dbraw/zinc/90/72/38/568907238.db2.gz DHTKQBVLAOIJOU-NHCUHLMSSA-N 0 0 421.526 4.553 40 5 HJBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000222978483 568907258 /nfs/dbraw/zinc/90/72/58/568907258.db2.gz UIFOFNFYKQGXDO-SFTDATJTSA-N 0 0 421.526 4.553 40 5 HJBBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218051708 568924762 /nfs/dbraw/zinc/92/47/62/568924762.db2.gz FBFSEVBAWFZAFR-SFHVURJKSA-N 0 0 400.500 4.555 40 5 HJBBRN O=C(c1cccs1)[C@@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000004168885 568947345 /nfs/dbraw/zinc/94/73/45/568947345.db2.gz IVXTXTKDOXPLHH-QESAQDPVSA-N 0 0 402.475 4.644 40 5 HJBBRN O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000001672130 569031754 /nfs/dbraw/zinc/03/17/54/569031754.db2.gz CNWGHUMFQXLORJ-UHFFFAOYSA-N 0 0 417.997 4.820 40 5 HJBBRN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000016399131 569041153 /nfs/dbraw/zinc/04/11/53/569041153.db2.gz IGNYSCGSLLXZKD-YVLHZVERSA-N 0 0 412.760 4.992 40 5 HJBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)cc1 ZINC000006615555 569074224 /nfs/dbraw/zinc/07/42/24/569074224.db2.gz TVHOOUCCCJAUAU-UHFFFAOYSA-N 0 0 407.426 4.990 40 5 HJBBRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000170499259 569238794 /nfs/dbraw/zinc/23/87/94/569238794.db2.gz DUPCDSKTBWKRGJ-UHFFFAOYSA-N 0 0 402.863 4.710 40 5 HJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000008475351 569341266 /nfs/dbraw/zinc/34/12/66/569341266.db2.gz NGAZJPTXAQSATD-JOCHJYFZSA-N 0 0 409.463 4.691 40 5 HJBBRN Cc1noc(/C=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000106506885 569352698 /nfs/dbraw/zinc/35/26/98/569352698.db2.gz OUSLQFPFNVRQSI-VURMDHGXSA-N 0 0 412.314 4.670 40 5 HJBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000205710512 569359717 /nfs/dbraw/zinc/35/97/17/569359717.db2.gz ZZSFBYLTNZFHSQ-UDWIEESQSA-N 0 0 405.475 4.981 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000008907804 569390872 /nfs/dbraw/zinc/39/08/72/569390872.db2.gz KLXZMLSMQOQDMT-UHFFFAOYSA-N 0 0 401.271 4.782 40 5 HJBBRN O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccco1 ZINC000011181058 569397883 /nfs/dbraw/zinc/39/78/83/569397883.db2.gz LYMPZEHEXSFPQO-UHFFFAOYSA-N 0 0 417.377 4.952 40 5 HJBBRN O=C(CSc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011341137 569398079 /nfs/dbraw/zinc/39/80/79/569398079.db2.gz VDJVLZAKQDVRRP-UHFFFAOYSA-N 0 0 401.669 4.742 40 5 HJBBRN C[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002686058 132256699 /nfs/dbraw/zinc/25/66/99/132256699.db2.gz KHPBXOQVAOCUSR-COJQNKITSA-N 0 0 407.854 4.568 40 5 HJBBRN C[C@H]1C[C@H](C)CN(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)C1 ZINC000035313211 557688890 /nfs/dbraw/zinc/68/88/90/557688890.db2.gz QJZUABXQJNNFLX-KBPBESRZSA-N 0 0 422.579 4.989 40 5 HJBBRN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)C1 ZINC000035313212 557688895 /nfs/dbraw/zinc/68/88/95/557688895.db2.gz QJZUABXQJNNFLX-ZIAGYGMSSA-N 0 0 422.579 4.989 40 5 HJBBRN COc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229577 559169922 /nfs/dbraw/zinc/16/99/22/559169922.db2.gz OFBLDSAAUVWMKC-ZDUSSCGKSA-N 0 0 403.866 4.888 40 5 HJBBRN O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br ZINC000072229255 559169963 /nfs/dbraw/zinc/16/99/63/559169963.db2.gz LSQXLYXCGUKLBK-UHFFFAOYSA-N 0 0 424.682 4.863 40 5 HJBBRN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000072228884 559169968 /nfs/dbraw/zinc/16/99/68/559169968.db2.gz VMKTWKFNHGXURZ-UHFFFAOYSA-N 0 0 407.264 4.770 40 5 HJBBRN CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229140 559170109 /nfs/dbraw/zinc/17/01/09/559170109.db2.gz GZCOIPAYLOKGSE-UHFFFAOYSA-N 0 0 417.893 4.635 40 5 HJBBRN CC(=O)c1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(C(C)=O)c3)n2)c1 ZINC000004859514 559191844 /nfs/dbraw/zinc/19/18/44/559191844.db2.gz DXJMQEOWEUISSD-UHFFFAOYSA-N 0 0 405.414 4.586 40 5 HJBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC ZINC000408568687 559218573 /nfs/dbraw/zinc/21/85/73/559218573.db2.gz IIMGDBGERYRVEI-HNNXBMFYSA-N 0 0 419.275 4.746 40 5 HJBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000408575995 559219097 /nfs/dbraw/zinc/21/90/97/559219097.db2.gz XDTUTKXNCMGXHE-INIZCTEOSA-N 0 0 409.298 4.993 40 5 HJBBRN O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000408620005 559221755 /nfs/dbraw/zinc/22/17/55/559221755.db2.gz GJVMBVFHBDUWDQ-UHFFFAOYSA-N 0 0 401.378 4.846 40 5 HJBBRN Cc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(F)cc1 ZINC000409193110 559244292 /nfs/dbraw/zinc/24/42/92/559244292.db2.gz BWMRMSJGGTUGAS-UZYVYHOESA-N 0 0 405.838 4.504 40 5 HJBBRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000000841600 559287753 /nfs/dbraw/zinc/28/77/53/559287753.db2.gz AVFILSQSGGYWRK-UHFFFAOYSA-N 0 0 404.245 4.733 40 5 HJBBRN O=C(c1ccco1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000000853567 559289495 /nfs/dbraw/zinc/28/94/95/559289495.db2.gz UYKUGNYUIJLUAH-UHFFFAOYSA-N 0 0 401.216 4.797 40 5 HJBBRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408802403 560642814 /nfs/dbraw/zinc/64/28/14/560642814.db2.gz ZVWAXOKHPXOENA-UHFFFAOYSA-N 0 0 410.406 4.757 40 5 HJBBRN O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 ZINC000408974759 560660022 /nfs/dbraw/zinc/66/00/22/560660022.db2.gz DLQGMTSGKLSCAE-UHFFFAOYSA-N 0 0 424.529 4.960 40 5 HJBBRN CC(C)(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974920 560660099 /nfs/dbraw/zinc/66/00/99/560660099.db2.gz FTIKIIFHJAQYPU-UHFFFAOYSA-N 0 0 412.522 4.964 40 5 HJBBRN COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)c([N+](=O)[O-])cc1OC ZINC000408994695 560663150 /nfs/dbraw/zinc/66/31/50/560663150.db2.gz ZQSFURAUIASQKD-UHFFFAOYSA-N 0 0 415.471 4.648 40 5 HJBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 ZINC000409006517 560664672 /nfs/dbraw/zinc/66/46/72/560664672.db2.gz KEQHUVYRCPCJHU-HKWRFOASSA-N 0 0 419.462 4.665 40 5 HJBBRN O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1CCCc1ccccc1 ZINC000409137092 560682623 /nfs/dbraw/zinc/68/26/23/560682623.db2.gz ZYGHGAKLRBTCIX-SFQUDFHCSA-N 0 0 402.859 4.917 40 5 HJBBRN Cc1c(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cccc1[N+](=O)[O-] ZINC000409178968 560687713 /nfs/dbraw/zinc/68/77/13/560687713.db2.gz LNNOYWGGQQHICF-UHFFFAOYSA-N 0 0 408.366 4.961 40 5 HJBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3cc4ccccc4nc3c2)C1 ZINC000409190552 560689142 /nfs/dbraw/zinc/68/91/42/560689142.db2.gz SAKFVRAKYKDERA-LJQANCHMSA-N 0 0 420.582 4.665 40 5 HJBBRN Cc1cc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409202955 560693578 /nfs/dbraw/zinc/69/35/78/560693578.db2.gz VQBVCAVRENVHSZ-XDHOZWIPSA-N 0 0 417.421 4.565 40 5 HJBBRN Cc1ccc2cc3c(N)c(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)sc3nc2c1 ZINC000000812949 568489995 /nfs/dbraw/zinc/48/99/95/568489995.db2.gz GNRLDBRUDHFZLW-UHFFFAOYSA-N 0 0 403.423 4.965 40 5 HJBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000020141066 568590047 /nfs/dbraw/zinc/59/00/47/568590047.db2.gz UECXJJNCHSSOOM-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN O=C(Nc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000020457519 568608791 /nfs/dbraw/zinc/60/87/91/568608791.db2.gz DSTMBXYCSPZWJP-UHFFFAOYSA-N 0 0 424.482 4.976 40 5 HJBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 ZINC000260756141 568737553 /nfs/dbraw/zinc/73/75/53/568737553.db2.gz DPQMJULSCUARIY-NQERJWCQSA-N 0 0 419.510 4.760 40 5 HJBBRN COC(=O)c1c(C)n(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21 ZINC000226768129 568823506 /nfs/dbraw/zinc/82/35/06/568823506.db2.gz VDJIXHNAEWHPRP-UHFFFAOYSA-N 0 0 404.378 4.593 40 5 HJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222901682 568823742 /nfs/dbraw/zinc/82/37/42/568823742.db2.gz XHYXBDKXBXIOBI-PMACEKPBSA-N 0 0 408.483 4.632 40 5 HJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222902087 568823871 /nfs/dbraw/zinc/82/38/71/568823871.db2.gz CKMYIQLSOQZRNP-VQTJNVASSA-N 0 0 408.483 4.632 40 5 HJBBRN COc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1Br ZINC000034990120 568835483 /nfs/dbraw/zinc/83/54/83/568835483.db2.gz QVZJJDHNYMDERZ-UHFFFAOYSA-N 0 0 416.069 4.741 40 5 HJBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000222978546 568907201 /nfs/dbraw/zinc/90/72/01/568907201.db2.gz UIFOFNFYKQGXDO-RTWAWAEBSA-N 0 0 421.526 4.553 40 5 HJBBRN O=[N+]([O-])c1ccc(N2CCCC2)c([C@H]2OCCCN2Cc2ccc(Cl)cc2)c1 ZINC000059490028 568956373 /nfs/dbraw/zinc/95/63/73/568956373.db2.gz CGUIKEPCARQAOY-OAQYLSRUSA-N 0 0 401.894 4.770 40 5 HJBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc2ccccc2c1 ZINC000008209118 568982232 /nfs/dbraw/zinc/98/22/32/568982232.db2.gz SBZCHWHNEXEZFG-UHFFFAOYSA-N 0 0 406.423 4.529 40 5 HJBBRN CCCCn1c2ccccc2n2c(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nnc12 ZINC000575410689 569025006 /nfs/dbraw/zinc/02/50/06/569025006.db2.gz ACBXIXUAUPWZOQ-UHFFFAOYSA-N 0 0 421.486 4.561 40 5 HJBBRN CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016161712 569029509 /nfs/dbraw/zinc/02/95/09/569029509.db2.gz WJOARFNBPJBGBW-LEWJYISDSA-N 0 0 410.470 4.646 40 5 HJBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1OC ZINC000224246956 569056558 /nfs/dbraw/zinc/05/65/58/569056558.db2.gz WEAMXLLWOQAHFR-UHFFFAOYSA-N 0 0 422.437 4.752 40 5 HJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O ZINC000006595590 569068634 /nfs/dbraw/zinc/06/86/34/569068634.db2.gz IZYFJPHGRZYEKM-HXUWFJFHSA-N 0 0 411.797 4.735 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000017088402 569273688 /nfs/dbraw/zinc/27/36/88/569273688.db2.gz CYICUOWIYYLSAM-QPJJXVBHSA-N 0 0 410.282 4.736 40 5 HJBBRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017090424 569274131 /nfs/dbraw/zinc/27/41/31/569274131.db2.gz OAFYCCAMEWURFE-UHFFFAOYSA-N 0 0 415.858 4.943 40 5 HJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017092685 569274594 /nfs/dbraw/zinc/27/45/94/569274594.db2.gz SNZNVWOOTOPREC-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000224888034 569293487 /nfs/dbraw/zinc/29/34/87/569293487.db2.gz IAYJXJZLKAMDAD-UHFFFAOYSA-N 0 0 416.231 4.584 40 5 HJBBRN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 ZINC000214938342 569309660 /nfs/dbraw/zinc/30/96/60/569309660.db2.gz CTTVRLPGUIAHQV-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000008907751 569390905 /nfs/dbraw/zinc/39/09/05/569390905.db2.gz SYXBCDCUPQUKAX-UHFFFAOYSA-N 0 0 401.271 4.782 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc21 ZINC000010010654 569394920 /nfs/dbraw/zinc/39/49/20/569394920.db2.gz KSLJFXOLOQXMDS-UHFFFAOYSA-N 0 0 415.471 4.528 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cc(C)c(Cl)c(C)c3)nc21 ZINC000010010663 569394967 /nfs/dbraw/zinc/39/49/67/569394967.db2.gz NIUFDPMEDRUUON-UHFFFAOYSA-N 0 0 421.862 4.501 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cc(C)ccc3C(C)C)nc21 ZINC000010010672 569395093 /nfs/dbraw/zinc/39/50/93/569395093.db2.gz BUCDFRHWRDDPCP-UHFFFAOYSA-N 0 0 415.471 4.662 40 5 HJBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000010120363 569395171 /nfs/dbraw/zinc/39/51/71/569395171.db2.gz KFQMWFIZVSQLEC-UHFFFAOYSA-N 0 0 401.422 4.950 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038853930 571088022 /nfs/dbraw/zinc/08/80/22/571088022.db2.gz MWOZMVVSKZGYLQ-UHFFFAOYSA-N 0 0 408.285 4.752 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044885503 525469902 /nfs/dbraw/zinc/46/99/02/525469902.db2.gz WNMCBXMLYQVNJR-UHFFFAOYSA-N 0 0 417.465 4.809 40 5 HJBBRN COc1ccccc1C(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC000072229537 559170089 /nfs/dbraw/zinc/17/00/89/559170089.db2.gz UDFMHJKMDBEHBT-ZDUSSCGKSA-N 0 0 403.866 4.888 40 5 HJBBRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408561064 559218672 /nfs/dbraw/zinc/21/86/72/559218672.db2.gz GFQSVFKZRZQXTK-DQRAZIAOSA-N 0 0 411.483 4.511 40 5 HJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000408577397 559219299 /nfs/dbraw/zinc/21/92/99/559219299.db2.gz ZFFGMFMNEXMCKV-SFHVURJKSA-N 0 0 418.906 4.738 40 5 HJBBRN Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000408980010 559236333 /nfs/dbraw/zinc/23/63/33/559236333.db2.gz PKJZZXIHNKMBTM-NRFANRHFSA-N 0 0 417.465 4.712 40 5 HJBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1cccc(O)c1 ZINC000005376180 560573613 /nfs/dbraw/zinc/57/36/13/560573613.db2.gz VSQXIIDWBZNMAX-WQRHYEAKSA-N 0 0 408.391 4.801 40 5 HJBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1O ZINC000408838944 560646247 /nfs/dbraw/zinc/64/62/47/560646247.db2.gz KOMAPDRSUSYPAF-KPKJPENVSA-N 0 0 400.799 4.513 40 5 HJBBRN COc1cc2nc3ccc(NC(=S)N(C)c4ccccc4)cc3nc2cc1OC ZINC000408987741 560661836 /nfs/dbraw/zinc/66/18/36/560661836.db2.gz BVPKQQCTLAHCHT-UHFFFAOYSA-N 0 0 404.495 4.633 40 5 HJBBRN O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 ZINC000408994472 560663207 /nfs/dbraw/zinc/66/32/07/560663207.db2.gz ZKKLZMXPIOHMPW-UHFFFAOYSA-N 0 0 422.492 4.618 40 5 HJBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1 ZINC000409181607 560688481 /nfs/dbraw/zinc/68/84/81/560688481.db2.gz DMECUGWPFPBJJA-UHFFFAOYSA-N 0 0 420.421 4.849 40 5 HJBBRN Cc1cc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409197945 560690793 /nfs/dbraw/zinc/69/07/93/560690793.db2.gz SKTHXBLMCKROPK-UNOMPAQXSA-N 0 0 417.421 4.565 40 5 HJBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 ZINC000000837498 568501842 /nfs/dbraw/zinc/50/18/42/568501842.db2.gz WMMNXHFMAYKGRP-UHFFFAOYSA-N 0 0 409.286 4.942 40 5 HJBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Cl ZINC000019927397 568585691 /nfs/dbraw/zinc/58/56/91/568585691.db2.gz VSAGJZREAABPDY-UHFFFAOYSA-N 0 0 402.863 4.502 40 5 HJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224921649 568604290 /nfs/dbraw/zinc/60/42/90/568604290.db2.gz DNQMTMFDUBZSFG-UHFFFAOYSA-N 0 0 420.903 4.639 40 5 HJBBRN CC(=O)c1cccc(-c2ccc(Cn3c(C)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)c1 ZINC000000930730 568750934 /nfs/dbraw/zinc/75/09/34/568750934.db2.gz LVDIDWADBQHSPC-UHFFFAOYSA-N 0 0 413.433 4.531 40 5 HJBBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000222630108 568765829 /nfs/dbraw/zinc/76/58/29/568765829.db2.gz FJYFHGHKGHNWOV-CWVNLOTRSA-N 0 0 406.467 4.839 40 5 HJBBRN O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000225563089 568773797 /nfs/dbraw/zinc/77/37/97/568773797.db2.gz CMGUZJKWNFWWFL-UHFFFAOYSA-N 0 0 410.470 4.603 40 5 HJBBRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222946077 568868077 /nfs/dbraw/zinc/86/80/77/568868077.db2.gz JHUCRRAJCDTGSL-LEWJYISDSA-N 0 0 422.510 4.878 40 5 HJBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222978856 568907195 /nfs/dbraw/zinc/90/71/95/568907195.db2.gz DHTKQBVLAOIJOU-LEWJYISDSA-N 0 0 421.526 4.553 40 5 HJBBRN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004040887 568935704 /nfs/dbraw/zinc/93/57/04/568935704.db2.gz IVXWFOGCRXFKPR-SNVBAGLBSA-N 0 0 413.655 4.725 40 5 HJBBRN COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000006357743 569045035 /nfs/dbraw/zinc/04/50/35/569045035.db2.gz MAUXIABMCRMING-WEVVVXLNSA-N 0 0 417.849 4.503 40 5 HJBBRN COc1ccccc1OCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000001893044 569057105 /nfs/dbraw/zinc/05/71/05/569057105.db2.gz XROZAEYWNFVBAO-UHFFFAOYSA-N 0 0 413.455 4.525 40 5 HJBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COCc1ccccc1 ZINC000224356674 569059721 /nfs/dbraw/zinc/05/97/21/569059721.db2.gz NPZGTUBBEZIMDK-UHFFFAOYSA-N 0 0 406.438 4.881 40 5 HJBBRN CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 ZINC000002025705 569062432 /nfs/dbraw/zinc/06/24/32/569062432.db2.gz FEGDELCCKFUKOX-IBGZPJMESA-N 0 0 401.260 4.887 40 5 HJBBRN Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] ZINC000006846520 569151311 /nfs/dbraw/zinc/15/13/11/569151311.db2.gz JMUPSVNXWGHLDX-UHFFFAOYSA-N 0 0 407.817 4.543 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000017090422 569273394 /nfs/dbraw/zinc/27/33/94/569273394.db2.gz ZKMURBMSQVIFRX-UHFFFAOYSA-N 0 0 415.858 4.537 40 5 HJBBRN COc1c(C)cc(Br)cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017092882 569273574 /nfs/dbraw/zinc/27/35/74/569273574.db2.gz FKQZGDHLZBSASM-UHFFFAOYSA-N 0 0 422.260 4.536 40 5 HJBBRN Cc1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000017092703 569273974 /nfs/dbraw/zinc/27/39/74/569273974.db2.gz PZBXISPPELGOOX-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl ZINC000017091650 569274197 /nfs/dbraw/zinc/27/41/97/569274197.db2.gz SWRQQMYWIBQGIW-UHFFFAOYSA-N 0 0 418.689 4.990 40 5 HJBBRN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br ZINC000215047929 569325385 /nfs/dbraw/zinc/32/53/85/569325385.db2.gz QPVFBJXRFVPTMD-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN CCOP(=O)(OCC)[C@H](Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000065090427 569391146 /nfs/dbraw/zinc/39/11/46/569391146.db2.gz IMUHDWYNYYMJDO-SFHVURJKSA-N 0 0 409.379 4.562 40 5 HJBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4[N+](=O)[O-])cc3)oc2cc1C ZINC000010120362 569395139 /nfs/dbraw/zinc/39/51/39/569395139.db2.gz IITMABKAYOLNPU-UHFFFAOYSA-N 0 0 401.422 4.950 40 5 HJBBRN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000038753026 571079128 /nfs/dbraw/zinc/07/91/28/571079128.db2.gz UEFTXBPRXGIAIL-UHFFFAOYSA-N 0 0 404.831 4.841 40 5 HJBBRN Cc1ncc(NC(=O)c2ccccc2[N+](=O)[O-])n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615877 527302266 /nfs/dbraw/zinc/30/22/66/527302266.db2.gz QXAOSCBJSWCECO-UHFFFAOYSA-N 0 0 423.429 4.604 40 5 HJBBRN O=[N+]([O-])c1ccc(CNc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000328964128 527350353 /nfs/dbraw/zinc/35/03/53/527350353.db2.gz BTIAJTMKQUMMNJ-UHFFFAOYSA-N 0 0 408.767 4.758 40 5 HJBBRN O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 ZINC000013898328 558937868 /nfs/dbraw/zinc/93/78/68/558937868.db2.gz KEPABFHURHQACW-UHFFFAOYSA-N 0 0 410.813 4.762 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000014132496 559153064 /nfs/dbraw/zinc/15/30/64/559153064.db2.gz IXRDWLVDLJMBPN-UDWIEESQSA-N 0 0 420.446 4.993 40 5 HJBBRN CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(F)cc1 ZINC000408561086 559218401 /nfs/dbraw/zinc/21/84/01/559218401.db2.gz GLQKDHFBXOREPN-LNVKXUELSA-N 0 0 413.474 4.977 40 5 HJBBRN CCOc1ccccc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000408571350 559219199 /nfs/dbraw/zinc/21/91/99/559219199.db2.gz OLPMGUYZKPUYJA-FQEVSTJZSA-N 0 0 412.515 4.701 40 5 HJBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1cccc(Cl)c1 ZINC000408581018 559219995 /nfs/dbraw/zinc/21/99/95/559219995.db2.gz GCBXHUKBSNUQQE-UHFFFAOYSA-N 0 0 402.863 4.880 40 5 HJBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(COc2ccc(Cl)cc2)o1 ZINC000408582398 559220084 /nfs/dbraw/zinc/22/00/84/559220084.db2.gz NSLANZVYOPGPIN-UHFFFAOYSA-N 0 0 405.819 4.564 40 5 HJBBRN Cc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] ZINC000408628829 559221643 /nfs/dbraw/zinc/22/16/43/559221643.db2.gz CHALHXPQHXDOLP-UHFFFAOYSA-N 0 0 400.390 4.929 40 5 HJBBRN O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000408620709 559221744 /nfs/dbraw/zinc/22/17/44/559221744.db2.gz JFXHQRNUOGZSLI-UHFFFAOYSA-N 0 0 401.378 4.846 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000408623968 559221799 /nfs/dbraw/zinc/22/17/99/559221799.db2.gz AAZHLWOROPUWHI-UHFFFAOYSA-N 0 0 405.907 4.981 40 5 HJBBRN COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1[N+](=O)[O-] ZINC000408621323 559221845 /nfs/dbraw/zinc/22/18/45/559221845.db2.gz LRRINRNMRQHACX-UHFFFAOYSA-N 0 0 401.216 4.771 40 5 HJBBRN COC(=O)c1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907510 559231221 /nfs/dbraw/zinc/23/12/21/559231221.db2.gz PRQDUHHCPBWMEX-HMMYKYKNSA-N 0 0 402.406 4.561 40 5 HJBBRN Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] ZINC000409179622 559243573 /nfs/dbraw/zinc/24/35/73/559243573.db2.gz SDEAVMRMTMZSJH-UHFFFAOYSA-N 0 0 408.366 4.961 40 5 HJBBRN CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409089534 560675148 /nfs/dbraw/zinc/67/51/48/560675148.db2.gz NZIWIBVMTIYEFB-ZSOIEALJSA-N 0 0 423.244 4.674 40 5 HJBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000409089475 560675157 /nfs/dbraw/zinc/67/51/57/560675157.db2.gz INXXFGMQRNQNJI-AQTBWJFISA-N 0 0 411.483 4.587 40 5 HJBBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 ZINC000409235527 560701155 /nfs/dbraw/zinc/70/11/55/560701155.db2.gz BUDAIGMAJSIXQB-NDENLUEZSA-N 0 0 417.421 4.565 40 5 HJBBRN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1C ZINC000005747027 560868943 /nfs/dbraw/zinc/86/89/43/560868943.db2.gz QRVHXUMDPUXXBS-YRNVUSSQSA-N 0 0 413.437 4.597 40 5 HJBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005750392 560868972 /nfs/dbraw/zinc/86/89/72/560868972.db2.gz HNFWUCAICSCSOW-UHFFFAOYSA-N 0 0 402.834 4.990 40 5 HJBBRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000021595281 568467609 /nfs/dbraw/zinc/46/76/09/568467609.db2.gz VTZWQJKODXETGE-FMIVXFBMSA-N 0 0 407.451 4.690 40 5 HJBBRN CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Cl)ccc1OC ZINC000019929377 568585740 /nfs/dbraw/zinc/58/57/40/568585740.db2.gz QLFBRYBXLVDZJI-UHFFFAOYSA-N 0 0 404.879 4.828 40 5 HJBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020142977 568590249 /nfs/dbraw/zinc/59/02/49/568590249.db2.gz AEHZHQGVFJCFKF-UHFFFAOYSA-N 0 0 421.453 4.508 40 5 HJBBRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222945828 568868169 /nfs/dbraw/zinc/86/81/69/568868169.db2.gz VTYINDWPSOZUME-LEWJYISDSA-N 0 0 422.510 4.878 40 5 HJBBRN COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000059409235 568952798 /nfs/dbraw/zinc/95/27/98/568952798.db2.gz DETAHWRXHCODLP-QFIPXVFZSA-N 0 0 421.478 4.879 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000059500393 568956821 /nfs/dbraw/zinc/95/68/21/568956821.db2.gz MAXUGBKMBSLEER-ZQFKLAOWSA-N 0 0 424.456 4.556 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000059500392 568956829 /nfs/dbraw/zinc/95/68/29/568956829.db2.gz MAXUGBKMBSLEER-VUUXHMSQSA-N 0 0 424.456 4.556 40 5 HJBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(OC)cc1 ZINC000224601308 569072531 /nfs/dbraw/zinc/07/25/31/569072531.db2.gz MGHQXUXFYDCVFR-UHFFFAOYSA-N 0 0 422.437 4.833 40 5 HJBBRN O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)c1cccc([N+](=O)[O-])c1 ZINC000016768661 569262634 /nfs/dbraw/zinc/26/26/34/569262634.db2.gz YFRDFBRIBPDUKY-UHFFFAOYSA-N 0 0 416.462 4.861 40 5 HJBBRN CCn1c(COc2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000006226132 569330025 /nfs/dbraw/zinc/33/00/25/569330025.db2.gz GDGCREQTEICCRK-UHFFFAOYSA-N 0 0 404.879 4.731 40 5 HJBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1C ZINC000006449712 569332515 /nfs/dbraw/zinc/33/25/15/569332515.db2.gz SDURENONWTXRSE-UHFFFAOYSA-N 0 0 413.430 4.738 40 5 HJBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1C ZINC000107737836 569352913 /nfs/dbraw/zinc/35/29/13/569352913.db2.gz KGXWRKPEOLMBNQ-UHFFFAOYSA-N 0 0 409.467 4.907 40 5 HJBBRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107744438 569352922 /nfs/dbraw/zinc/35/29/22/569352922.db2.gz ADRMMBOMURGERN-UHFFFAOYSA-N 0 0 419.821 4.774 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000215250528 569389615 /nfs/dbraw/zinc/38/96/15/569389615.db2.gz HDLWRXYAXBJXKL-FRKPEAEDSA-N 0 0 422.821 4.632 40 5 HJBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 ZINC000008903189 569390832 /nfs/dbraw/zinc/39/08/32/569390832.db2.gz WOMVKGGJLATNSV-UHFFFAOYSA-N 0 0 413.455 4.722 40 5 HJBBRN CCOP(=O)(OCC)[C@@H](Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000065090428 569391161 /nfs/dbraw/zinc/39/11/61/569391161.db2.gz IMUHDWYNYYMJDO-GOSISDBHSA-N 0 0 409.379 4.562 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038853896 571087942 /nfs/dbraw/zinc/08/79/42/571087942.db2.gz RYATWDPOOZVWII-ZDUSSCGKSA-N 0 0 408.285 4.752 40 5 HJBBRN CC(C)Cn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398721 519515834 /nfs/dbraw/zinc/51/58/34/519515834.db2.gz DUEVYOUBJFQFEZ-UHFFFAOYSA-N 0 0 414.292 4.663 40 5 HJBBRN Cc1ncc(NC(=O)c2ccccc2[N+](=O)[O-])n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616167 527301711 /nfs/dbraw/zinc/30/17/11/527301711.db2.gz SEULMYKHWRNHEH-UHFFFAOYSA-N 0 0 419.466 4.773 40 5 HJBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2O)n1-c1ccccc1 ZINC000408607798 559221361 /nfs/dbraw/zinc/22/13/61/559221361.db2.gz UTISEQZXADMCHV-UHFFFAOYSA-N 0 0 418.434 4.512 40 5 HJBBRN Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408819962 559228031 /nfs/dbraw/zinc/22/80/31/559228031.db2.gz SCGFBNJZUFAOGR-ODLFYWEKSA-N 0 0 407.451 4.572 40 5 HJBBRN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 ZINC000409163938 559243343 /nfs/dbraw/zinc/24/33/43/559243343.db2.gz ABKIOUQIGQXHAK-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN Cc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000409181680 559243807 /nfs/dbraw/zinc/24/38/07/559243807.db2.gz DTXRFCCFPYRXLV-OAQYLSRUSA-N 0 0 420.377 4.592 40 5 HJBBRN COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000409182301 559243845 /nfs/dbraw/zinc/24/38/45/559243845.db2.gz KGUXAQKYGJDKMP-UHFFFAOYSA-N 0 0 402.366 4.789 40 5 HJBBRN O=C1NC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409226424 559245670 /nfs/dbraw/zinc/24/56/70/559245670.db2.gz NULKKVQPBKRIFL-WJDWOHSUSA-N 0 0 409.785 4.606 40 5 HJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409230371 559245689 /nfs/dbraw/zinc/24/56/89/559245689.db2.gz CIPXGYZOBJCQFI-XDHOZWIPSA-N 0 0 417.421 4.565 40 5 HJBBRN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000013704411 560220100 /nfs/dbraw/zinc/22/01/00/560220100.db2.gz BRAZLURTFMCAHU-UHFFFAOYSA-N 0 0 402.385 4.839 40 5 in-vitro HJBBRN Cc1ccccc1COc1cccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 ZINC000004851718 560611554 /nfs/dbraw/zinc/61/15/54/560611554.db2.gz AVCWRNILUFMSAV-HMAPJEAMSA-N 0 0 414.417 4.827 40 5 HJBBRN O=C(NC1CCCCC1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974735 560660015 /nfs/dbraw/zinc/66/00/15/560660015.db2.gz CVWWBCFEEDZDJA-UHFFFAOYSA-N 0 0 407.477 4.942 40 5 HJBBRN Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000409171954 560686649 /nfs/dbraw/zinc/68/66/49/560686649.db2.gz FMBGIGKQFKECMU-UHFFFAOYSA-N 0 0 419.433 4.830 40 5 HJBBRN Cc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000409181679 560688503 /nfs/dbraw/zinc/68/85/03/560688503.db2.gz DTXRFCCFPYRXLV-NRFANRHFSA-N 0 0 420.377 4.592 40 5 HJBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000057316994 568490930 /nfs/dbraw/zinc/49/09/30/568490930.db2.gz HUGFYXIVWRXILL-UHFFFAOYSA-N 0 0 401.216 4.547 40 5 HJBBRN O=C(N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000836684 568501689 /nfs/dbraw/zinc/50/16/89/568501689.db2.gz UTILHPSTCURICO-AWEZNQCLSA-N 0 0 424.067 4.753 40 5 HJBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020141149 568590050 /nfs/dbraw/zinc/59/00/50/568590050.db2.gz MPQSDHBXLGDICM-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020140454 568590332 /nfs/dbraw/zinc/59/03/32/568590332.db2.gz OHUXCJWJDNFSNP-UHFFFAOYSA-N 0 0 404.378 4.859 40 5 HJBBRN Cc1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000005815160 568752149 /nfs/dbraw/zinc/75/21/49/568752149.db2.gz GWYXHCZKKGPCNT-UHFFFAOYSA-N 0 0 403.394 4.729 40 5 HJBBRN CCSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 ZINC000222693526 568768048 /nfs/dbraw/zinc/76/80/48/568768048.db2.gz IPRNYXDFHMAFCI-FOWTUZBSSA-N 0 0 412.496 4.738 40 5 HJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222901866 568823953 /nfs/dbraw/zinc/82/39/53/568823953.db2.gz XHYXBDKXBXIOBI-WOJBJXKFSA-N 0 0 408.483 4.632 40 5 HJBBRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222945885 568868237 /nfs/dbraw/zinc/86/82/37/568868237.db2.gz VTYINDWPSOZUME-NHCUHLMSSA-N 0 0 422.510 4.878 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000059500391 568956794 /nfs/dbraw/zinc/95/67/94/568956794.db2.gz MAXUGBKMBSLEER-FGEXJBCWSA-N 0 0 424.456 4.556 40 5 HJBBRN CCCCOc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000006203961 569031847 /nfs/dbraw/zinc/03/18/47/569031847.db2.gz OAUGWIXCMVOAHX-UHFFFAOYSA-N 0 0 401.444 4.644 40 5 HJBBRN COc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc2ccccc2c1Br ZINC000017091746 569273353 /nfs/dbraw/zinc/27/33/53/569273353.db2.gz YAOPDMNIOYDZSM-UHFFFAOYSA-N 0 0 419.206 4.911 40 5 HJBBRN CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000017089721 569273377 /nfs/dbraw/zinc/27/33/77/569273377.db2.gz JMFZOXDZZWWLBC-BJMVGYQFSA-N 0 0 413.905 4.734 40 5 HJBBRN COc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1[N+](=O)[O-] ZINC000017090421 569274601 /nfs/dbraw/zinc/27/46/01/569274601.db2.gz AMIKOIDPXKNBMU-UHFFFAOYSA-N 0 0 415.858 4.537 40 5 HJBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@H]1C ZINC000253577955 569318038 /nfs/dbraw/zinc/31/80/38/569318038.db2.gz XRZJMGCZMKEROC-YTZAWJCFSA-N 0 0 413.521 4.757 40 5 HJBBRN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000008926511 569390866 /nfs/dbraw/zinc/39/08/66/569390866.db2.gz AETPTCPPSMYDGV-UHFFFAOYSA-N 0 0 416.462 4.936 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039747670 571134054 /nfs/dbraw/zinc/13/40/54/571134054.db2.gz XFBCHZHDPNOPJY-UHFFFAOYSA-N 0 0 405.857 4.546 40 5 HJBBRN COc1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])c1 ZINC000329005172 571309288 /nfs/dbraw/zinc/30/92/88/571309288.db2.gz KWDSTFGXMCCPFD-UHFFFAOYSA-N 0 0 424.766 5.476 40 5 HJBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)(C)C)c3)CC2)cc1C ZINC000013633078 132458463 /nfs/dbraw/zinc/45/84/63/132458463.db2.gz UXYVGCCAPBXSTQ-UHFFFAOYSA-N 0 0 424.545 4.632 40 5 HJBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCCC3)C2=O)cc1C ZINC000408528445 557296737 /nfs/dbraw/zinc/29/67/37/557296737.db2.gz HQQDJXIHQOGNAJ-UHFFFAOYSA-N 0 0 415.449 4.766 40 5 HJBBRN CCOC(=O)C(O)=C(CCc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCC ZINC000005832973 557676669 /nfs/dbraw/zinc/67/66/69/557676669.db2.gz YMWNHIYMPTXDTO-OAQYLSRUSA-N 0 0 416.473 4.828 40 5 HJBBRN Cc1c(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)cccc1[N+](=O)[O-] ZINC000408677801 557683775 /nfs/dbraw/zinc/68/37/75/557683775.db2.gz RQPSOZCEGYZOKO-UHFFFAOYSA-N 0 0 417.396 4.783 40 5 HJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000215180565 558831725 /nfs/dbraw/zinc/83/17/25/558831725.db2.gz IVMOBTQEJROQIC-LZYBPNLTSA-N 0 0 422.821 4.632 40 5 HJBBRN O=[N+]([O-])c1ccc2nc(-c3cc(I)ccc3Cl)oc2c1 ZINC000073640087 558849690 /nfs/dbraw/zinc/84/96/90/558849690.db2.gz FLAGYFFDPPOHQJ-UHFFFAOYSA-N 0 0 400.559 4.661 40 5 HJBBRN O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2[N+](=O)[O-])cc1 ZINC000100496497 559209962 /nfs/dbraw/zinc/20/99/62/559209962.db2.gz BIXUGWZEISANFP-UHFFFAOYSA-N 0 0 408.370 4.618 40 5 HJBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1 ZINC000408528745 559214957 /nfs/dbraw/zinc/21/49/57/559214957.db2.gz WIGKXDIZSIGNTL-UHFFFAOYSA-N 0 0 412.214 4.746 40 5 HJBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(F)cc1 ZINC000408560204 559217250 /nfs/dbraw/zinc/21/72/50/559217250.db2.gz CNVPCODOGLIGNT-LNVKXUELSA-N 0 0 413.474 4.977 40 5 HJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OC ZINC000408564893 559218303 /nfs/dbraw/zinc/21/83/03/559218303.db2.gz ARFCHBQTHSPGEI-OAHLLOKOSA-N 0 0 419.275 4.746 40 5 HJBBRN CCn1c2c(s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl)CCc1ccccc1-2 ZINC000408561935 559218776 /nfs/dbraw/zinc/21/87/76/559218776.db2.gz LUMXJZLANDDMIK-XDOYNYLZSA-N 0 0 413.886 4.638 40 5 HJBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)c(Br)cc1OC ZINC000408576530 559218850 /nfs/dbraw/zinc/21/88/50/559218850.db2.gz XOWGANMFIYFDEX-HNNXBMFYSA-N 0 0 419.275 4.746 40 5 HJBBRN O=[N+]([O-])c1ccc(Sc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c([N+](=O)[O-])c1 ZINC000408583881 559220222 /nfs/dbraw/zinc/22/02/22/559220222.db2.gz YFFFHQVVISDMLE-UHFFFAOYSA-N 0 0 402.432 4.505 40 5 HJBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(F)cc2)c1 ZINC000408695660 559224414 /nfs/dbraw/zinc/22/44/14/559224414.db2.gz RWDLHNANVYWCJF-UHFFFAOYSA-N 0 0 417.400 4.542 40 5 HJBBRN COc1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c([N+](=O)[O-])c1 ZINC000004994000 559225155 /nfs/dbraw/zinc/22/51/55/559225155.db2.gz JFIFLYCLFFFWJP-UHFFFAOYSA-N 0 0 408.439 4.509 40 5 HJBBRN COc1ccc(CCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408909676 559231219 /nfs/dbraw/zinc/23/12/19/559231219.db2.gz HQXHJEWQUUDCOX-HAVVHWLPSA-N 0 0 402.450 4.503 40 5 HJBBRN COc1ccc(CCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408907459 559231226 /nfs/dbraw/zinc/23/12/26/559231226.db2.gz ONVGYECEOYLORW-HAVVHWLPSA-N 0 0 402.450 4.503 40 5 HJBBRN CC(=O)Nc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000409135059 559241720 /nfs/dbraw/zinc/24/17/20/559241720.db2.gz QXHHORZSDYHKCE-PXLXIMEGSA-N 0 0 401.422 4.733 40 5 HJBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409176488 559243660 /nfs/dbraw/zinc/24/36/60/559243660.db2.gz OXZYTDLVBGXMBR-UHFFFAOYSA-N 0 0 408.366 4.581 40 5 HJBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(F)cc1 ZINC000409199624 559244258 /nfs/dbraw/zinc/24/42/58/559244258.db2.gz PPFZPKAYASQMSC-QOCHGBHMSA-N 0 0 419.865 4.758 40 5 HJBBRN COC(=O)c1cn(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc12 ZINC000226768908 559273976 /nfs/dbraw/zinc/27/39/76/559273976.db2.gz YSIKNRXNNJLXBH-UHFFFAOYSA-N 0 0 424.796 4.938 40 5 HJBBRN CCCCN(CCCC)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000005003476 560620545 /nfs/dbraw/zinc/62/05/45/560620545.db2.gz JMGOJXQCNGFBSX-PYCFMQQDSA-N 0 0 423.513 4.795 40 5 HJBBRN O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCCCC1 ZINC000408974967 560660052 /nfs/dbraw/zinc/66/00/52/560660052.db2.gz GVPQPLWQYKLRQS-UHFFFAOYSA-N 0 0 407.477 4.896 40 5 HJBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(F)cc1 ZINC000409206954 560691231 /nfs/dbraw/zinc/69/12/31/560691231.db2.gz NSIUNAFQKFBPIT-QOCHGBHMSA-N 0 0 419.865 4.758 40 5 HJBBRN COCCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409241480 560702336 /nfs/dbraw/zinc/70/23/36/560702336.db2.gz XUNRJUPCGLANOM-MHWRWJLKSA-N 0 0 422.846 4.581 40 5 HJBBRN O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1 ZINC000010475619 560829919 /nfs/dbraw/zinc/82/99/19/560829919.db2.gz QFAPMNNKYAZKFU-UHFFFAOYSA-N 0 0 406.261 4.623 40 5 HJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020142612 568590099 /nfs/dbraw/zinc/59/00/99/568590099.db2.gz BSRZNQPABDQAHH-UHFFFAOYSA-N 0 0 421.453 4.590 40 5 HJBBRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000222630302 568766251 /nfs/dbraw/zinc/76/62/51/568766251.db2.gz FJYFHGHKGHNWOV-SVIJTADQSA-N 0 0 406.467 4.839 40 5 HJBBRN CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 ZINC000059210971 568946463 /nfs/dbraw/zinc/94/64/63/568946463.db2.gz KGSRHQHTGKIYQZ-UHFFFAOYSA-N 0 0 413.655 4.591 40 5 HJBBRN O=C(NCCOc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223424996 569003966 /nfs/dbraw/zinc/00/39/66/569003966.db2.gz UOXRZRNYDPGUDA-CAPFRKAQSA-N 0 0 422.868 4.984 40 5 HJBBRN CC(=O)c1ccc(SCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000016321919 569031338 /nfs/dbraw/zinc/03/13/38/569031338.db2.gz XMTFOLJPVNGXGG-UHFFFAOYSA-N 0 0 420.468 4.793 40 5 HJBBRN CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 ZINC000002025708 569062417 /nfs/dbraw/zinc/06/24/17/569062417.db2.gz FEGDELCCKFUKOX-LJQANCHMSA-N 0 0 401.260 4.887 40 5 HJBBRN CCOC(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 ZINC000016682967 569070313 /nfs/dbraw/zinc/07/03/13/569070313.db2.gz LACCNRIPLSHNBK-UHFFFAOYSA-N 0 0 420.428 4.832 40 5 HJBBRN OCCCNc1nc2cc(Br)ccc2c2ccc(Br)cc21 ZINC000001601778 569095321 /nfs/dbraw/zinc/09/53/21/569095321.db2.gz UKDXKEMQPNXRPZ-UHFFFAOYSA-N 0 0 410.109 4.707 40 5 HJBBRN COc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000006973401 569191606 /nfs/dbraw/zinc/19/16/06/569191606.db2.gz RKZZLCQACHCGPO-UHFFFAOYSA-N 0 0 406.829 4.691 40 5 HJBBRN CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225083805 569325104 /nfs/dbraw/zinc/32/51/04/569325104.db2.gz BEBICJAPOBLGFU-UHFFFAOYSA-N 0 0 422.812 4.791 40 5 HJBBRN CC(C)(C)NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000006708008 569334495 /nfs/dbraw/zinc/33/44/95/569334495.db2.gz AYCVCACGUFXJJG-UHFFFAOYSA-N 0 0 412.522 4.964 40 5 HJBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008051503 569339318 /nfs/dbraw/zinc/33/93/18/569339318.db2.gz ATZLUBPLJRJAIY-UHFFFAOYSA-N 0 0 409.423 4.835 40 5 HJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000008475352 569341286 /nfs/dbraw/zinc/34/12/86/569341286.db2.gz XHBJYPAATUKRFX-QFIPXVFZSA-N 0 0 409.463 4.691 40 5 HJBBRN O=C(NC(=S)Nc1ccccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107990402 569353233 /nfs/dbraw/zinc/35/32/33/569353233.db2.gz PYKWOACGIFTMPW-UHFFFAOYSA-N 0 0 401.831 4.635 40 5 HJBBRN O=[N+]([O-])c1cc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)ccc1F ZINC000329070184 569425054 /nfs/dbraw/zinc/42/50/54/569425054.db2.gz ZELNSYQCGUGIET-UHFFFAOYSA-N 0 0 407.449 4.523 40 5 HJBBRN CC(C)c1ccc(/C=C/C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000006346344 132310477 /nfs/dbraw/zinc/31/04/77/132310477.db2.gz LHBYHQBCFZRCGC-DHZHZOJOSA-N 0 0 413.905 4.734 40 5 HJBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(C)c1 ZINC000019927275 523232940 /nfs/dbraw/zinc/23/29/40/523232940.db2.gz IIKYTHODXVLQGF-UHFFFAOYSA-N 0 0 416.890 4.810 40 5 HJBBRN Cc1ccc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)cc1 ZINC000040398727 525911520 /nfs/dbraw/zinc/91/15/20/525911520.db2.gz OIXBBEYXQJOFPQ-UHFFFAOYSA-N 0 0 407.473 4.615 40 5 HJBBRN O=C(c1cccc2c(Br)cccc12)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642324 526779853 /nfs/dbraw/zinc/77/98/53/526779853.db2.gz GFXJVPKYVOSQDO-UHFFFAOYSA-N 0 0 424.254 4.590 40 5 HJBBRN O=c1oc2ccc(-n3c(=O)c4ccccc4c4ccccc4c3=O)cc2c2ccccc12 ZINC000001717023 557282537 /nfs/dbraw/zinc/28/25/37/557282537.db2.gz VICGFCOICVDWNK-UHFFFAOYSA-N 0 0 417.420 4.764 40 5 HJBBRN O=[N+]([O-])c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000073642122 558850352 /nfs/dbraw/zinc/85/03/52/558850352.db2.gz IZKCYIOSRFOVEU-UHFFFAOYSA-N 0 0 400.559 4.661 40 5 HJBBRN O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCCCCC1 ZINC000004713412 558914535 /nfs/dbraw/zinc/91/45/35/558914535.db2.gz KXKUJXHQKMLKTO-UHFFFAOYSA-N 0 0 413.430 4.631 40 5 HJBBRN COc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1Cl ZINC000072229538 559170198 /nfs/dbraw/zinc/17/01/98/559170198.db2.gz KCNNQFHPYWUKBO-UHFFFAOYSA-N 0 0 403.866 4.745 40 5 HJBBRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408562220 559218298 /nfs/dbraw/zinc/21/82/98/559218298.db2.gz OEBJVYCETVUIPX-QOCHGBHMSA-N 0 0 419.865 4.987 40 5 HJBBRN O=C(NCCSCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000408563025 559219186 /nfs/dbraw/zinc/21/91/86/559219186.db2.gz HSRIQHFQUKPXDH-UHFFFAOYSA-N 0 0 403.262 4.704 40 5 HJBBRN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1[N+](=O)[O-] ZINC000408628005 559222143 /nfs/dbraw/zinc/22/21/43/559222143.db2.gz PHSSACOLRQRJLK-UHFFFAOYSA-N 0 0 402.410 4.707 40 5 HJBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(C)c2)cc1 ZINC000408694059 559224384 /nfs/dbraw/zinc/22/43/84/559224384.db2.gz HUFSIABUNUUOAV-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408696155 559224394 /nfs/dbraw/zinc/22/43/94/559224394.db2.gz WXHJMMZSEDSHPK-UHFFFAOYSA-N 0 0 419.828 4.748 40 5 HJBBRN Cc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(C)cc1 ZINC000409206277 559244717 /nfs/dbraw/zinc/24/47/17/559244717.db2.gz SPVYVRQKWHWQNC-VZCXRCSSSA-N 0 0 401.875 4.673 40 5 HJBBRN COC(=O)c1cn(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 ZINC000226767480 559273954 /nfs/dbraw/zinc/27/39/54/559273954.db2.gz NCZWLPXZRMIUJN-UHFFFAOYSA-N 0 0 424.796 4.938 40 5 HJBBRN COc1cc2nc3ccc(NC(=S)Nc4ccc(C)cc4)cc3nc2cc1OC ZINC000408993071 560662923 /nfs/dbraw/zinc/66/29/23/560662923.db2.gz BWSJZDSFRCRDJS-UHFFFAOYSA-N 0 0 404.495 4.918 40 5 HJBBRN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409155816 560685333 /nfs/dbraw/zinc/68/53/33/560685333.db2.gz DBLOANOHPTXJNQ-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3cc4ccccc4nc3c2)C1 ZINC000409190549 560689169 /nfs/dbraw/zinc/68/91/69/560689169.db2.gz SAKFVRAKYKDERA-IBGZPJMESA-N 0 0 420.582 4.665 40 5 HJBBRN CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106741045 560893674 /nfs/dbraw/zinc/89/36/74/560893674.db2.gz XZYHRMGNGUTCDT-ODLFYWEKSA-N 0 0 412.467 4.866 40 5 HJBBRN COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1OC ZINC000020411970 568604694 /nfs/dbraw/zinc/60/46/94/568604694.db2.gz NCQJSDIBVNYQPN-UHFFFAOYSA-N 0 0 419.393 4.673 40 5 HJBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225564807 568773991 /nfs/dbraw/zinc/77/39/91/568773991.db2.gz PMWMOWVVXNPFPT-QGZVFWFLSA-N 0 0 412.486 4.767 40 5 HJBBRN CC(C)c1nc(Cc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)no1 ZINC000226092742 568785062 /nfs/dbraw/zinc/78/50/62/568785062.db2.gz RPQXMLIXKYYSTH-UHFFFAOYSA-N 0 0 400.822 4.598 40 5 HJBBRN O=c1oc2ccccc2c(NCCOc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000059484721 568956385 /nfs/dbraw/zinc/95/63/85/568956385.db2.gz LMRKUMABCYHQSP-UHFFFAOYSA-N 0 0 402.406 4.859 40 5 HJBBRN CCOc1ccc2nc3sc(C(=O)Nc4cc([N+](=O)[O-])ccc4C)c(N)c3cc2c1 ZINC000006134263 569014140 /nfs/dbraw/zinc/01/41/40/569014140.db2.gz SFSNGMOBHXXYAO-UHFFFAOYSA-N 0 0 422.466 4.899 40 5 HJBBRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000026580610 569040094 /nfs/dbraw/zinc/04/00/94/569040094.db2.gz HLVMMWQBVPOJHW-QHHAFSJGSA-N 0 0 414.245 4.567 40 5 HJBBRN CCOc1ccc(C2=Nc3ccc(C)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000006600781 569069716 /nfs/dbraw/zinc/06/97/16/569069716.db2.gz QCFJGGCYKXBFGM-UHFFFAOYSA-N 0 0 400.438 4.736 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000017092833 569274191 /nfs/dbraw/zinc/27/41/91/569274191.db2.gz BZSYJIZEVRKJRO-UHFFFAOYSA-N 0 0 421.906 4.718 40 5 HJBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006526685 569333190 /nfs/dbraw/zinc/33/31/90/569333190.db2.gz RARDMMDTFQVMCP-UHFFFAOYSA-N 0 0 408.366 4.581 40 5 HJBBRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000007342097 569336939 /nfs/dbraw/zinc/33/69/39/569336939.db2.gz XOXPLNSQOJXQNU-UHFFFAOYSA-N 0 0 409.254 4.662 40 5 HJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000008475350 569341269 /nfs/dbraw/zinc/34/12/69/569341269.db2.gz NGAZJPTXAQSATD-QFIPXVFZSA-N 0 0 409.463 4.691 40 5 HJBBRN CCCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000033404460 569350549 /nfs/dbraw/zinc/35/05/49/569350549.db2.gz BHIMWGOGBIKZMQ-UHFFFAOYSA-N 0 0 423.263 4.797 40 5 HJBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000008903653 569390815 /nfs/dbraw/zinc/39/08/15/569390815.db2.gz NTCDBCGXLHJDSZ-UHFFFAOYSA-N 0 0 419.846 4.675 40 5 HJBBRN Cc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000009445987 569392815 /nfs/dbraw/zinc/39/28/15/569392815.db2.gz NTSIRJHRCWALNV-INIZCTEOSA-N 0 0 404.422 4.806 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)nc21 ZINC000010010536 569394855 /nfs/dbraw/zinc/39/48/55/569394855.db2.gz NMYGFPFLSZMERH-UHFFFAOYSA-N 0 0 401.488 4.758 40 5 HJBBRN CC[C@H](C)Oc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000010010647 569394904 /nfs/dbraw/zinc/39/49/04/569394904.db2.gz SWPWSJDCVVILRR-NSHDSACASA-N 0 0 401.444 4.643 40 5 HJBBRN C[C@H]1[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000002686048 132256694 /nfs/dbraw/zinc/25/66/94/132256694.db2.gz CYXGNZIVJAFZBP-BMIZZYGASA-N 0 0 423.416 4.794 40 5 HJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000005900093 557680026 /nfs/dbraw/zinc/68/00/26/557680026.db2.gz UCVWMJRIYKXHBM-DHZHZOJOSA-N 0 0 415.474 4.692 40 5 HJBBRN CC(=O)Nc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004357698 558443023 /nfs/dbraw/zinc/44/30/23/558443023.db2.gz MWPVJPPTOWJKIN-UHFFFAOYSA-N 0 0 412.837 4.792 40 5 HJBBRN CCc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 ZINC000408565535 559218755 /nfs/dbraw/zinc/21/87/55/559218755.db2.gz CEPZNIKKTLJEIH-SFHVURJKSA-N 0 0 402.907 4.902 40 5 HJBBRN O=C(NCCSCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000408568838 559218784 /nfs/dbraw/zinc/21/87/84/559218784.db2.gz UVJWNYYOBRPNEM-UHFFFAOYSA-N 0 0 403.262 4.704 40 5 HJBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(F)cc1 ZINC000408571004 559219294 /nfs/dbraw/zinc/21/92/94/559219294.db2.gz MRURZNOILFSOGU-HXUWFJFHSA-N 0 0 408.458 4.978 40 5 HJBBRN Cc1nc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br ZINC000408619231 559221601 /nfs/dbraw/zinc/22/16/01/559221601.db2.gz AIXNXDYLCQSNIC-UHFFFAOYSA-N 0 0 402.204 4.573 40 5 HJBBRN Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cccc1[N+](=O)[O-] ZINC000408622720 559221821 /nfs/dbraw/zinc/22/18/21/559221821.db2.gz RCFBHAHSVSBLEB-UHFFFAOYSA-N 0 0 400.390 4.929 40 5 HJBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408714042 559225085 /nfs/dbraw/zinc/22/50/85/559225085.db2.gz HGOOXYUCWXXLIJ-VGOFMYFVSA-N 0 0 420.469 4.614 40 5 HJBBRN O=C1NC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000409017529 559237094 /nfs/dbraw/zinc/23/70/94/559237094.db2.gz XDLGJWPWLJKQPI-LFIBNONCSA-N 0 0 409.785 4.606 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409128925 559240890 /nfs/dbraw/zinc/24/08/90/559240890.db2.gz LIBJGFZSOGDCRO-CPNJWEJPSA-N 0 0 419.393 4.691 40 5 HJBBRN O=C(CN1C(=O)SC(=Cc2cccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409363622 559248750 /nfs/dbraw/zinc/24/87/50/559248750.db2.gz WZZIQVVLXZUAHV-UDWIEESQSA-N 0 0 418.430 4.667 40 5 HJBBRN CN(C)c1nc(/C=C/c2cccc([N+](=O)[O-])c2)cc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000005509629 560601094 /nfs/dbraw/zinc/60/10/94/560601094.db2.gz QNSPPOYFILCUNF-WGDLNXRISA-N 0 0 417.425 4.700 40 5 HJBBRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004959738 560620873 /nfs/dbraw/zinc/62/08/73/560620873.db2.gz GNOGCVYXFPAVJR-UHFFFAOYSA-N 0 0 409.364 4.736 40 5 HJBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(F)cc1 ZINC000408841140 560646071 /nfs/dbraw/zinc/64/60/71/560646071.db2.gz FSQXHLUSEFGMAS-NTUHNPAUSA-N 0 0 402.790 4.947 40 5 HJBBRN Cc1cccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1C ZINC000223900576 568562508 /nfs/dbraw/zinc/56/25/08/568562508.db2.gz JVSKFSIGPTWCTF-HAVVHWLPSA-N 0 0 416.477 4.947 40 5 HJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000020141115 568590175 /nfs/dbraw/zinc/59/01/75/568590175.db2.gz BEPVXHYNQGOZAG-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)OCCC12CC3CC(CC(C3)C1)C2 ZINC000020436480 568606743 /nfs/dbraw/zinc/60/67/43/568606743.db2.gz NHUMBXJDOBYURL-UHFFFAOYSA-N 0 0 421.925 4.993 40 5 HJBBRN CCc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 ZINC000020610131 568636535 /nfs/dbraw/zinc/63/65/35/568636535.db2.gz VZAZFURDFKUUAQ-UHFFFAOYSA-N 0 0 421.844 4.797 40 5 HJBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 ZINC000222709183 568769073 /nfs/dbraw/zinc/76/90/73/568769073.db2.gz DPQMJULSCUARIY-GQWLDOHISA-N 0 0 419.510 4.760 40 5 HJBBRN Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000226767398 568823487 /nfs/dbraw/zinc/82/34/87/568823487.db2.gz IFBPUTOKRLVCCQ-UHFFFAOYSA-N 0 0 410.813 4.952 40 5 HJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222901807 568823765 /nfs/dbraw/zinc/82/37/65/568823765.db2.gz XHYXBDKXBXIOBI-VQTJNVASSA-N 0 0 408.483 4.632 40 5 HJBBRN CC(C)CCOC(=O)/C=C/c1ccc(/C=C/C(=O)OCCC(C)C)c([N+](=O)[O-])c1 ZINC000003845222 568927418 /nfs/dbraw/zinc/92/74/18/568927418.db2.gz AVWRDQLIAURRJL-OAMUUVBCSA-N 0 0 403.475 4.800 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1cccc(Oc2ccccc2)c1 ZINC000223739527 569031428 /nfs/dbraw/zinc/03/14/28/569031428.db2.gz PSGMRDBYZADJPG-UHFFFAOYSA-N 0 0 412.467 4.516 40 5 HJBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000006263855 569035943 /nfs/dbraw/zinc/03/59/43/569035943.db2.gz XPYSFFQNXKDCHK-UHFFFAOYSA-N 0 0 405.838 4.638 40 5 HJBBRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016384011 569040053 /nfs/dbraw/zinc/04/00/53/569040053.db2.gz BFLAOIKJCNLGRZ-UHFFFAOYSA-N 0 0 414.676 4.517 40 5 HJBBRN O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC000001724812 569145001 /nfs/dbraw/zinc/14/50/01/569145001.db2.gz ZUWANASDNNHAPS-UHFFFAOYSA-N 0 0 406.394 4.701 40 5 HJBBRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000007388786 569235868 /nfs/dbraw/zinc/23/58/68/569235868.db2.gz ALMNPRMITIYKEN-UHFFFAOYSA-N 0 0 424.501 4.678 40 5 HJBBRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215019812 569324771 /nfs/dbraw/zinc/32/47/71/569324771.db2.gz XAHSDIJIWBTCEM-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225086877 569325145 /nfs/dbraw/zinc/32/51/45/569325145.db2.gz ASMAIHHZXHJAPE-UHFFFAOYSA-N 0 0 422.812 4.791 40 5 HJBBRN O=C(Nc1cccnc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000006548201 569333386 /nfs/dbraw/zinc/33/33/86/569333386.db2.gz SGKKYGKDXJSDQU-UHFFFAOYSA-N 0 0 402.417 4.527 40 5 HJBBRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000107965494 569353237 /nfs/dbraw/zinc/35/32/37/569353237.db2.gz XPTPXIITMGFCDD-UHFFFAOYSA-N 0 0 409.254 4.662 40 5 HJBBRN O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000027834080 569397953 /nfs/dbraw/zinc/39/79/53/569397953.db2.gz UZIBHOOBAVKRJP-WOJGMQOQSA-N 0 0 423.812 4.601 40 5 HJBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 ZINC000260788386 569409736 /nfs/dbraw/zinc/40/97/36/569409736.db2.gz ZQBMZWGUQYZSOC-NQERJWCQSA-N 0 0 419.510 4.760 40 5 HJBBRN O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3)nc2c1 ZINC000044138680 527378724 /nfs/dbraw/zinc/37/87/24/527378724.db2.gz QATDJSYGMWRYKZ-UHFFFAOYSA-N 0 0 400.354 4.590 40 5 HJBBRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000006024064 557684651 /nfs/dbraw/zinc/68/46/51/557684651.db2.gz PZLHFPUNJCPWPV-UHFFFAOYSA-N 0 0 412.511 4.935 40 5 HJBBRN C[C@H]1CCCCN1C(=O)CSc1ncnc2c3cc4ccccc4nc3sc21 ZINC000035313196 557688913 /nfs/dbraw/zinc/68/89/13/557688913.db2.gz AVSRIUHIMYPRLU-ZDUSSCGKSA-N 0 0 408.552 4.886 40 5 HJBBRN O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000013574194 558843985 /nfs/dbraw/zinc/84/39/85/558843985.db2.gz HFQDUWAWLFFFJP-UHFFFAOYSA-N 0 0 400.525 4.739 40 5 HJBBRN CCCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000023243951 559064620 /nfs/dbraw/zinc/06/46/20/559064620.db2.gz GFTXKYCBNULAAU-UHFFFAOYSA-N 0 0 423.263 4.715 40 5 HJBBRN CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 ZINC000408570637 559218549 /nfs/dbraw/zinc/21/85/49/559218549.db2.gz LQYOLBMMRSNATH-GOSISDBHSA-N 0 0 400.529 4.716 40 5 HJBBRN CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 ZINC000408570639 559218629 /nfs/dbraw/zinc/21/86/29/559218629.db2.gz LQYOLBMMRSNATH-SFHVURJKSA-N 0 0 400.529 4.716 40 5 HJBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccc(Cl)cc1 ZINC000408581475 559220127 /nfs/dbraw/zinc/22/01/27/559220127.db2.gz IKVAARBLWIVPEE-UHFFFAOYSA-N 0 0 402.863 4.880 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408695491 559224424 /nfs/dbraw/zinc/22/44/24/559224424.db2.gz QUOHTHNCIHVGPS-UHFFFAOYSA-N 0 0 419.828 4.748 40 5 HJBBRN Cc1cc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)ccc1[N+](=O)[O-] ZINC000408713838 559225057 /nfs/dbraw/zinc/22/50/57/559225057.db2.gz AGQMXPRIMRUIDG-UHFFFAOYSA-N 0 0 408.458 4.523 40 5 HJBBRN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc1-2 ZINC000409053807 559239486 /nfs/dbraw/zinc/23/94/86/559239486.db2.gz PZEDSTNYGXJWSF-UHFFFAOYSA-N 0 0 415.858 4.731 40 5 HJBBRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000409097832 559240686 /nfs/dbraw/zinc/24/06/86/559240686.db2.gz HNLRXGKUUMEAFG-YVLHZVERSA-N 0 0 418.858 4.883 40 5 HJBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409180420 559243595 /nfs/dbraw/zinc/24/35/95/559243595.db2.gz SHFPFCCKAWSFEU-JOCHJYFZSA-N 0 0 409.825 4.958 40 5 HJBBRN CC(=O)Nc1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000409183854 559244455 /nfs/dbraw/zinc/24/44/55/559244455.db2.gz UFBRDXLSPNVKJH-UHFFFAOYSA-N 0 0 406.394 4.703 40 5 HJBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409247290 559246790 /nfs/dbraw/zinc/24/67/90/559246790.db2.gz MCNRBPYBPRQQNR-WQRHYEAKSA-N 0 0 423.812 4.914 40 5 HJBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCC1 ZINC000408976417 560660498 /nfs/dbraw/zinc/66/04/98/560660498.db2.gz RCCYCNJHTPSZQW-UHFFFAOYSA-N 0 0 410.506 4.672 40 5 HJBBRN COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc1CC2 ZINC000409051194 560669977 /nfs/dbraw/zinc/66/99/77/560669977.db2.gz ADGJQUXABYUPGD-UHFFFAOYSA-N 0 0 415.858 4.731 40 5 HJBBRN COc1ccc(/C=C(/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 ZINC000409118505 560679220 /nfs/dbraw/zinc/67/92/20/560679220.db2.gz QQONUAQBJDLTER-XSFVSMFZSA-N 0 0 404.422 4.791 40 5 HJBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(F)cc1 ZINC000409196524 560690561 /nfs/dbraw/zinc/69/05/61/560690561.db2.gz OTGLJJZJBWYTQG-QOCHGBHMSA-N 0 0 419.865 4.758 40 5 HJBBRN O=C1N/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1 ZINC000409205171 560694117 /nfs/dbraw/zinc/69/41/17/560694117.db2.gz ODTIXDILQNAQAJ-GZTJUZNOSA-N 0 0 423.812 4.601 40 5 HJBBRN CCOC(=O)C(Oc1ncc(Cl)cc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 ZINC000005716629 560828372 /nfs/dbraw/zinc/82/83/72/560828372.db2.gz FKAOLFUZTUGUGZ-UHFFFAOYSA-N 0 0 412.829 4.529 40 5 HJBBRN CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000106722584 560893582 /nfs/dbraw/zinc/89/35/82/560893582.db2.gz RZUDECJQUPVRNW-ODLFYWEKSA-N 0 0 412.467 4.866 40 5 HJBBRN CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1C1CCCCC1 ZINC000000793613 568478347 /nfs/dbraw/zinc/47/83/47/568478347.db2.gz GHXNGRRFVNJMAC-CQSZACIVSA-N 0 0 417.535 4.682 40 5 HJBBRN COc1cc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000219821409 568498705 /nfs/dbraw/zinc/49/87/05/568498705.db2.gz UZLQAIDMVDEIIZ-UHFFFAOYSA-N 0 0 424.478 4.913 40 5 HJBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 ZINC000222709501 568769094 /nfs/dbraw/zinc/76/90/94/568769094.db2.gz ZQBMZWGUQYZSOC-ONGXBYRLSA-N 0 0 419.510 4.760 40 5 HJBBRN Cc1nn(Cc2ccccc2C(=O)Nc2nc3c(cccc3C)s2)c(C)c1[N+](=O)[O-] ZINC000002794577 568809460 /nfs/dbraw/zinc/80/94/60/568809460.db2.gz KTPYLQUUMSUOKG-UHFFFAOYSA-N 0 0 421.482 4.627 40 5 HJBBRN CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl ZINC000216026934 568813473 /nfs/dbraw/zinc/81/34/73/568813473.db2.gz MKUJTGLHJVEABP-UHFFFAOYSA-N 0 0 402.863 4.502 40 5 HJBBRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222856368 568821375 /nfs/dbraw/zinc/82/13/75/568821375.db2.gz QTDOQBFYQJRKRX-VQTJNVASSA-N 0 0 408.483 4.631 40 5 HJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222892580 568823230 /nfs/dbraw/zinc/82/32/30/568823230.db2.gz XVDZCKWRMIQGHU-VQTJNVASSA-N 0 0 408.483 4.632 40 5 HJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C ZINC000004127999 568944685 /nfs/dbraw/zinc/94/46/85/568944685.db2.gz UCVNFAQUZQPDGG-UHFFFAOYSA-N 0 0 411.483 4.808 40 5 HJBBRN Cc1cccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000223425194 569003993 /nfs/dbraw/zinc/00/39/93/569003993.db2.gz RUCZFYIAXSBPFC-HAVVHWLPSA-N 0 0 402.450 4.639 40 5 HJBBRN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OC ZINC000016006502 569025410 /nfs/dbraw/zinc/02/54/10/569025410.db2.gz KSDGWOBGYCPNPP-UHFFFAOYSA-N 0 0 419.846 4.641 40 5 HJBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COCc1ccccc1 ZINC000224356596 569059682 /nfs/dbraw/zinc/05/96/82/569059682.db2.gz DIGYRSMSQNSLJF-UHFFFAOYSA-N 0 0 406.438 4.881 40 5 HJBBRN CCOc1ccc(C2=Nc3ccc(F)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000006600791 569069741 /nfs/dbraw/zinc/06/97/41/569069741.db2.gz YBIHNGOEDGKIDZ-UHFFFAOYSA-N 0 0 404.401 4.567 40 5 HJBBRN CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000017087999 569273942 /nfs/dbraw/zinc/27/39/42/569273942.db2.gz NXBMRDVIECQNOQ-UHFFFAOYSA-N 0 0 408.502 4.684 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000017091652 569274387 /nfs/dbraw/zinc/27/43/87/569274387.db2.gz HASSZRFDOWJDEH-UHFFFAOYSA-N 0 0 418.689 4.990 40 5 HJBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000008903657 569390819 /nfs/dbraw/zinc/39/08/19/569390819.db2.gz BFDWFSJDPPZJOQ-UHFFFAOYSA-N 0 0 419.846 4.675 40 5 HJBBRN O=[N+]([O-])c1cc(Br)cc2c3nc4cc(C(F)(F)F)ccc4nc3[nH]c21 ZINC000001571861 557272870 /nfs/dbraw/zinc/27/28/70/557272870.db2.gz STJJSMWIMJTWJB-UHFFFAOYSA-N 0 0 411.137 4.954 40 5 HJBBRN COc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000408562442 559218650 /nfs/dbraw/zinc/21/86/50/559218650.db2.gz PNZJEFGFIKFZJV-UHFFFAOYSA-N 0 0 423.372 4.998 40 5 HJBBRN COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000408629031 559221745 /nfs/dbraw/zinc/22/17/45/559221745.db2.gz INTKZAJGJLVOJU-UHFFFAOYSA-N 0 0 403.866 4.745 40 5 HJBBRN Cc1ccccc1OCCNC(=O)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408717892 559224980 /nfs/dbraw/zinc/22/49/80/559224980.db2.gz AYDABHUUQRIBAO-UHFFFAOYSA-N 0 0 400.378 4.803 40 5 HJBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1Cl ZINC000408728299 559225493 /nfs/dbraw/zinc/22/54/93/559225493.db2.gz ZIXIRFHTJFDTCH-UHFFFAOYSA-N 0 0 410.948 4.531 40 5 HJBBRN Cc1ccc(-c2cc(=S=NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ss2)cc1 ZINC000408731800 559225732 /nfs/dbraw/zinc/22/57/32/559225732.db2.gz PWQULLQJNMSLPC-UHFFFAOYSA-N 0 0 424.550 4.880 40 5 HJBBRN CCCCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408750532 559226433 /nfs/dbraw/zinc/22/64/33/559226433.db2.gz OLGSBUOIYTWOCZ-UHFFFAOYSA-N 0 0 413.480 4.897 40 5 HJBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1[N+](=O)[O-] ZINC000408994451 559236013 /nfs/dbraw/zinc/23/60/13/559236013.db2.gz GCKVIAYEECHNHX-LEOXJPRUSA-N 0 0 417.421 4.983 40 5 HJBBRN Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000409177496 559243551 /nfs/dbraw/zinc/24/35/51/559243551.db2.gz GBCGKESYXKHQFC-UHFFFAOYSA-N 0 0 405.406 4.522 40 5 HJBBRN O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1cccc(O)c1 ZINC000005376178 560573610 /nfs/dbraw/zinc/57/36/10/560573610.db2.gz GPJFXLSLVVMIFR-WQRHYEAKSA-N 0 0 408.391 4.801 40 5 HJBBRN CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409108819 560678883 /nfs/dbraw/zinc/67/88/83/560678883.db2.gz WHAXUQPFQQBAEZ-UDWIEESQSA-N 0 0 421.478 4.962 40 5 HJBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(=O)[nH]c2ccccc21 ZINC000409177600 560687390 /nfs/dbraw/zinc/68/73/90/560687390.db2.gz CMTNYCHIQIJBBQ-UHFFFAOYSA-N 0 0 416.389 4.998 40 5 HJBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccccc1 ZINC000409195968 560690349 /nfs/dbraw/zinc/69/03/49/560690349.db2.gz LRCXKTVTNXZZCB-VZCXRCSSSA-N 0 0 401.875 4.619 40 5 HJBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000020141104 568590226 /nfs/dbraw/zinc/59/02/26/568590226.db2.gz BZDTYFDLYJRCOX-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1OC ZINC000020411971 568604853 /nfs/dbraw/zinc/60/48/53/568604853.db2.gz XUYCKWMMFQCVBU-UHFFFAOYSA-N 0 0 419.393 4.673 40 5 HJBBRN O=C(COc1ccc(Cl)cc1Br)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020892599 568647407 /nfs/dbraw/zinc/64/74/07/568647407.db2.gz XSAANINKXFYUAB-UHFFFAOYSA-N 0 0 420.046 4.682 40 5 HJBBRN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc(C)cc3[N+](=O)[O-])nn21 ZINC000096194324 568703776 /nfs/dbraw/zinc/70/37/76/568703776.db2.gz ZUFNDJPRAOKMCB-UHFFFAOYSA-N 0 0 421.438 4.703 40 5 HJBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000021580618 568719945 /nfs/dbraw/zinc/71/99/45/568719945.db2.gz ZPZACVKQKRFKBM-FMIVXFBMSA-N 0 0 414.421 4.799 40 5 HJBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000216186380 568820695 /nfs/dbraw/zinc/82/06/95/568820695.db2.gz XQRXGEGUZUXLOM-UHFFFAOYSA-N 0 0 400.481 4.688 40 5 HJBBRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222856725 568821305 /nfs/dbraw/zinc/82/13/05/568821305.db2.gz LWGYRNGQYHWEJA-WOJBJXKFSA-N 0 0 408.483 4.631 40 5 HJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222892454 568823217 /nfs/dbraw/zinc/82/32/17/568823217.db2.gz XVDZCKWRMIQGHU-PMACEKPBSA-N 0 0 408.483 4.632 40 5 HJBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000222978602 568907222 /nfs/dbraw/zinc/90/72/22/568907222.db2.gz UIFOFNFYKQGXDO-LEWJYISDSA-N 0 0 421.526 4.553 40 5 HJBBRN Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1Br ZINC000218838779 568923774 /nfs/dbraw/zinc/92/37/74/568923774.db2.gz YPYGFOSTJGSCIK-UHFFFAOYSA-N 0 0 413.655 4.645 40 5 HJBBRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000059212937 568946686 /nfs/dbraw/zinc/94/66/86/568946686.db2.gz QRTLBCLUGUZKPA-UHFFFAOYSA-N 0 0 418.862 4.646 40 5 HJBBRN O=C(c1cccs1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000004168881 568947349 /nfs/dbraw/zinc/94/73/49/568947349.db2.gz IVXTXTKDOXPLHH-UVUJQTEASA-N 0 0 402.475 4.644 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 ZINC000059500396 568956827 /nfs/dbraw/zinc/95/68/27/568956827.db2.gz GUZQUGHRGNYXBL-VUUXHMSQSA-N 0 0 424.456 4.556 40 5 HJBBRN CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016161708 569029514 /nfs/dbraw/zinc/02/95/14/569029514.db2.gz WJOARFNBPJBGBW-SFTDATJTSA-N 0 0 410.470 4.646 40 5 HJBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)NC2CCCCC2)c1)NC1CCCCC1 ZINC000006925808 569182433 /nfs/dbraw/zinc/18/24/33/569182433.db2.gz IIYKPBBFCWPKED-UHFFFAOYSA-N 0 0 403.483 4.503 40 5 HJBBRN Cc1cc(NC(=O)c2coc3ccc([N+](=O)[O-])cc32)ccc1I ZINC000197827851 569318644 /nfs/dbraw/zinc/31/86/44/569318644.db2.gz LLIXCHLUFMIZLK-UHFFFAOYSA-N 0 0 422.178 4.506 40 5 HJBBRN COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000006229840 569330055 /nfs/dbraw/zinc/33/00/55/569330055.db2.gz FQWNSXRUJNWHJJ-UHFFFAOYSA-N 0 0 406.891 4.607 40 5 HJBBRN Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000006479712 569332982 /nfs/dbraw/zinc/33/29/82/569332982.db2.gz NVQDUSJLNKFONP-UHFFFAOYSA-N 0 0 405.406 4.522 40 5 HJBBRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000007929529 569338600 /nfs/dbraw/zinc/33/86/00/569338600.db2.gz ZHUMHYZDSIAYLW-MRXNPFEDSA-N 0 0 410.470 4.549 40 5 HJBBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000014792594 569344878 /nfs/dbraw/zinc/34/48/78/569344878.db2.gz YKIOOWOAVYNHSH-MRXNPFEDSA-N 0 0 403.438 4.647 40 5 HJBBRN O=C(c1cccs1)[C@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 ZINC000012062434 569399544 /nfs/dbraw/zinc/39/95/44/569399544.db2.gz IVXTXTKDOXPLHH-JKLQHZFJSA-N 0 0 402.475 4.644 40 5 HJBBRN COC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c1OC(C)=O ZINC000020310542 522432503 /nfs/dbraw/zinc/43/25/03/522432503.db2.gz HIZCHHLCWPASRV-UHFFFAOYSA-N 0 0 403.437 4.673 40 5 HJBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398761 524320087 /nfs/dbraw/zinc/32/00/87/524320087.db2.gz XRZJMGCZMKEROC-QZTZHPFYSA-N 0 0 413.521 4.757 40 5 HJBBRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000040398760 525646076 /nfs/dbraw/zinc/64/60/76/525646076.db2.gz XRZJMGCZMKEROC-RHGYRFJNSA-N 0 0 413.521 4.757 40 5 HJBBRN C[C@H]1CCCC[C@@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398832 526259769 /nfs/dbraw/zinc/25/97/69/526259769.db2.gz GYTRAJVVXCVVPT-UUOWRZLLSA-N 0 0 413.521 4.705 40 5 HJBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 ZINC000408557721 557454614 /nfs/dbraw/zinc/45/46/14/557454614.db2.gz OMJNGJCIVSJPFN-UHFFFAOYSA-N 0 0 421.453 4.623 40 5 HJBBRN CCn1c2c(s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl)CCc1ccccc1-2 ZINC000408564088 559219102 /nfs/dbraw/zinc/21/91/02/559219102.db2.gz XPAGVVOCIKMPRH-XDOYNYLZSA-N 0 0 413.886 4.638 40 5 HJBBRN CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 ZINC000408569106 559219162 /nfs/dbraw/zinc/21/91/62/559219162.db2.gz IVXPRFDLYIYXQC-GOSISDBHSA-N 0 0 400.529 4.716 40 5 HJBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408574475 559219183 /nfs/dbraw/zinc/21/91/83/559219183.db2.gz UXFYZJBXGJXNII-GOSISDBHSA-N 0 0 402.907 4.956 40 5 HJBBRN CCOc1ccccc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000408571353 559219476 /nfs/dbraw/zinc/21/94/76/559219476.db2.gz OLPMGUYZKPUYJA-HXUWFJFHSA-N 0 0 412.515 4.701 40 5 HJBBRN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2o1 ZINC000408621949 559221865 /nfs/dbraw/zinc/22/18/65/559221865.db2.gz NIWQVVHKJITIPZ-UHFFFAOYSA-N 0 0 401.378 4.846 40 5 HJBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408624280 559221923 /nfs/dbraw/zinc/22/19/23/559221923.db2.gz BYKIRAZNGKDYNZ-JXMROGBWSA-N 0 0 400.394 4.758 40 5 HJBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2)c1 ZINC000408693964 559224412 /nfs/dbraw/zinc/22/44/12/559224412.db2.gz GERPKYWGDYAVRB-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN COc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000408917536 559231902 /nfs/dbraw/zinc/23/19/02/559231902.db2.gz WOQGRNWXXMAHCD-NDENLUEZSA-N 0 0 420.446 4.993 40 5 HJBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1[N+](=O)[O-] ZINC000408994453 559236008 /nfs/dbraw/zinc/23/60/08/559236008.db2.gz GCKVIAYEECHNHX-NMNUPHIUSA-N 0 0 417.421 4.983 40 5 HJBBRN O=c1nc(Cc2ccccc2)n(Cc2cccc(Cl)c2)c2ccc([N+](=O)[O-])cc12 ZINC000001372466 560578113 /nfs/dbraw/zinc/57/81/13/560578113.db2.gz CUEOENXRQTZGDM-UHFFFAOYSA-N 0 0 405.841 4.597 40 5 HJBBRN CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004849286 560610540 /nfs/dbraw/zinc/61/05/40/560610540.db2.gz RVUPOSMURCDFHI-UHFFFAOYSA-N 0 0 411.483 4.753 40 5 HJBBRN COc1ccc2c(c1)-c1nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc1CC2 ZINC000409059233 560670869 /nfs/dbraw/zinc/67/08/69/560670869.db2.gz VOYBUFIKYOXPRQ-UHFFFAOYSA-N 0 0 415.858 4.731 40 5 HJBBRN Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000409177442 560687355 /nfs/dbraw/zinc/68/73/55/560687355.db2.gz ASMCOZVDKWDDDZ-NRFANRHFSA-N 0 0 420.377 4.592 40 5 HJBBRN C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000014792836 560850979 /nfs/dbraw/zinc/85/09/79/560850979.db2.gz JNNKCBROGHKROG-HJUDDPQBSA-N 0 0 415.449 4.738 40 5 HJBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000106696606 560893112 /nfs/dbraw/zinc/89/31/12/560893112.db2.gz DWIZSCWRMIFZHM-UNOMPAQXSA-N 0 0 423.425 4.761 40 5 HJBBRN Cc1ccccc1C(=O)Nc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000851931 568711840 /nfs/dbraw/zinc/71/18/40/568711840.db2.gz GWXCHRAOIGDZFY-OUKQBFOZSA-N 0 0 401.422 4.807 40 5 HJBBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000260759246 568737692 /nfs/dbraw/zinc/73/76/92/568737692.db2.gz FJYFHGHKGHNWOV-SMHULIPUSA-N 0 0 406.467 4.839 40 5 HJBBRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222856308 568821241 /nfs/dbraw/zinc/82/12/41/568821241.db2.gz QTDOQBFYQJRKRX-UXHICEINSA-N 0 0 408.483 4.631 40 5 HJBBRN COc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000035018432 568835329 /nfs/dbraw/zinc/83/53/29/568835329.db2.gz YJCOMIJZNMIFNW-UHFFFAOYSA-N 0 0 416.069 4.741 40 5 HJBBRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc32)c1 ZINC000223084469 568913760 /nfs/dbraw/zinc/91/37/60/568913760.db2.gz JOJIFHHEVDKMHW-UHFFFAOYSA-N 0 0 415.449 4.749 40 5 HJBBRN CCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000059294199 568950255 /nfs/dbraw/zinc/95/02/55/568950255.db2.gz OBJBAJGHIQKOOL-UHFFFAOYSA-N 0 0 424.501 4.822 40 5 HJBBRN CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000035288868 569016853 /nfs/dbraw/zinc/01/68/53/569016853.db2.gz SQJLXZGLCFEJJZ-UHFFFAOYSA-N 0 0 411.483 4.753 40 5 HJBBRN COc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c([N+](=O)[O-])c1 ZINC000017090420 569273949 /nfs/dbraw/zinc/27/39/49/569273949.db2.gz FPWNKWBNNFKWKJ-UHFFFAOYSA-N 0 0 415.858 4.537 40 5 HJBBRN COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1OC ZINC000017092013 569274249 /nfs/dbraw/zinc/27/42/49/569274249.db2.gz KMZBPKRAYALANV-UHFFFAOYSA-N 0 0 419.846 4.641 40 5 HJBBRN CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000017087824 569274386 /nfs/dbraw/zinc/27/43/86/569274386.db2.gz DIDGYQZZGDBXIP-XBXARRHUSA-N 0 0 408.241 4.902 40 5 HJBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224945630 569299519 /nfs/dbraw/zinc/29/95/19/569299519.db2.gz QDSRHJNIVLNVGY-UHFFFAOYSA-N 0 0 409.678 4.770 40 5 HJBBRN COc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1OC ZINC000006230826 569330088 /nfs/dbraw/zinc/33/00/88/569330088.db2.gz MTZFNCVYODIAQF-UHFFFAOYSA-N 0 0 409.394 4.761 40 5 HJBBRN Cc1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1[N+](=O)[O-] ZINC000006477757 569332831 /nfs/dbraw/zinc/33/28/31/569332831.db2.gz FQOPLZQBNCHZBY-UHFFFAOYSA-N 0 0 408.366 4.961 40 5 HJBBRN O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCCC1 ZINC000033596100 569350647 /nfs/dbraw/zinc/35/06/47/569350647.db2.gz YJMIVHPLSPPRBD-UHFFFAOYSA-N 0 0 407.477 4.896 40 5 HJBBRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000225339529 569390097 /nfs/dbraw/zinc/39/00/97/569390097.db2.gz NRULQOSWVQFXMV-UHFFFAOYSA-N 0 0 416.462 4.962 40 5 HJBBRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000010542703 569396579 /nfs/dbraw/zinc/39/65/79/569396579.db2.gz GLBUYKLQMQBWCA-UHFFFAOYSA-N 0 0 414.820 4.896 40 5 HJBBRN COc1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c([N+](=O)[O-])c1 ZINC000329041943 569423994 /nfs/dbraw/zinc/42/39/94/569423994.db2.gz SLIKQDGMPNUANC-UHFFFAOYSA-N 0 0 424.766 4.898 40 5 HJBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2cc1Cl ZINC000016283169 571307955 /nfs/dbraw/zinc/30/79/55/571307955.db2.gz ZTGFIIXCGJXGNX-UHFFFAOYSA-N 0 0 420.903 4.602 40 5 HJBBRN O=C(c1cccc(Cl)c1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016383815 132463800 /nfs/dbraw/zinc/46/38/00/132463800.db2.gz VYHQQZDFRKLPMC-UHFFFAOYSA-N 0 0 414.676 4.517 40 5 HJBBRN C[C@@H]1CCCCN1C(=O)CSc1ncnc2c3cc4ccccc4nc3sc21 ZINC000035313195 557688903 /nfs/dbraw/zinc/68/89/03/557688903.db2.gz AVSRIUHIMYPRLU-CYBMUJFWSA-N 0 0 408.552 4.886 40 5 HJBBRN CC1CCN(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)CC1 ZINC000035314703 557690289 /nfs/dbraw/zinc/69/02/89/557690289.db2.gz DPOIZPFWYAHKEE-UHFFFAOYSA-N 0 0 408.552 4.743 40 5 HJBBRN O=C(NC(=S)Nc1cccc2cccnc21)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035394740 557708348 /nfs/dbraw/zinc/70/83/48/557708348.db2.gz MDZZJIKEASNAAB-UHFFFAOYSA-N 0 0 418.434 4.530 40 5 HJBBRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OCC ZINC000013634967 558848870 /nfs/dbraw/zinc/84/88/70/558848870.db2.gz NQWDPVNOZNHYAT-HXUWFJFHSA-N 0 0 406.442 4.577 40 5 HJBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccccc2c2ccccc21 ZINC000019418891 558885314 /nfs/dbraw/zinc/88/53/14/558885314.db2.gz DDIVWFHNFPQGLW-UHFFFAOYSA-N 0 0 401.462 4.574 40 5 HJBBRN COc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229565 559170200 /nfs/dbraw/zinc/17/02/00/559170200.db2.gz FKYNNGDLAIERNL-CYBMUJFWSA-N 0 0 403.866 4.888 40 5 HJBBRN Cc1noc(/C=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000408541898 559217190 /nfs/dbraw/zinc/21/71/90/559217190.db2.gz GKZYNKJFLOOBHT-YWEYNIOJSA-N 0 0 412.314 4.670 40 5 HJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(CC)cc2)cc1 ZINC000408577293 559219121 /nfs/dbraw/zinc/21/91/21/559219121.db2.gz YZAVINZWTAGKOL-HXUWFJFHSA-N 0 0 412.515 4.647 40 5 HJBBRN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000408599093 559221453 /nfs/dbraw/zinc/22/14/53/559221453.db2.gz DTRJQZPHAVRSBO-UHFFFAOYSA-N 0 0 417.421 4.518 40 5 HJBBRN CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCC ZINC000408617565 559221651 /nfs/dbraw/zinc/22/16/51/559221651.db2.gz CRMQBHIEASBVQH-UHFFFAOYSA-N 0 0 423.263 4.715 40 5 HJBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccccc2C)c1 ZINC000408695816 559224409 /nfs/dbraw/zinc/22/44/09/559224409.db2.gz SOPKKGFQBDWZKG-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN O=c1nc(Cc2ccccc2)n(Cc2ccccc2Cl)c2ccc([N+](=O)[O-])cc12 ZINC000001372468 560578106 /nfs/dbraw/zinc/57/81/06/560578106.db2.gz BUTZZMGMWHDINI-UHFFFAOYSA-N 0 0 405.841 4.597 40 5 HJBBRN COc1ccc(OC)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000408925260 560654626 /nfs/dbraw/zinc/65/46/26/560654626.db2.gz OBQLJTOLUWRFLF-XSFVSMFZSA-N 0 0 404.422 4.791 40 5 HJBBRN S=C(NCCC1=CCCCC1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000409002082 560663953 /nfs/dbraw/zinc/66/39/53/560663953.db2.gz SJCAPLKWRWZYRF-UHFFFAOYSA-N 0 0 420.538 4.731 40 5 HJBBRN COc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1[N+](=O)[O-] ZINC000103768134 560844356 /nfs/dbraw/zinc/84/43/56/560844356.db2.gz JOUKTIYGQYATRY-FQEVSTJZSA-N 0 0 401.422 4.687 40 5 HJBBRN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccco1 ZINC000000828578 568497904 /nfs/dbraw/zinc/49/79/04/568497904.db2.gz ONYHDRYSJPDKAY-UHFFFAOYSA-N 0 0 403.188 4.995 40 5 HJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020141157 568590031 /nfs/dbraw/zinc/59/00/31/568590031.db2.gz CLRLKEOFEPJRDZ-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1-c1ccc(CO)o1 ZINC000020142995 568590294 /nfs/dbraw/zinc/59/02/94/568590294.db2.gz CLSIJRAUNHLFNB-UHFFFAOYSA-N 0 0 421.453 4.508 40 5 HJBBRN O=[N+]([O-])c1cccc(-c2cc(-c3ccc(F)cc3)n3nc(C(F)(F)F)nc3n2)c1 ZINC000020635852 568638667 /nfs/dbraw/zinc/63/86/67/568638667.db2.gz KUENQHCQOZUNEP-UHFFFAOYSA-N 0 0 403.295 4.524 40 5 HJBBRN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001049779 568764626 /nfs/dbraw/zinc/76/46/26/568764626.db2.gz IMWKXFHUWMQEIK-UHFFFAOYSA-N 0 0 405.241 4.707 40 5 HJBBRN Cc1ccc2c(cccc2NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000057316202 568826356 /nfs/dbraw/zinc/82/63/56/568826356.db2.gz WKHQVENWZOSYMR-UHFFFAOYSA-N 0 0 404.470 4.940 40 5 HJBBRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222937066 568838651 /nfs/dbraw/zinc/83/86/51/568838651.db2.gz GDHVSPUJSXAFGL-LEWJYISDSA-N 0 0 422.510 4.878 40 5 HJBBRN O=C(NCc1ccccc1-n1ccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000030752013 568886934 /nfs/dbraw/zinc/88/69/34/568886934.db2.gz SHILPPWMYMOEQM-XQNSMLJCSA-N 0 0 424.460 4.638 40 5 HJBBRN CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000217941035 568920330 /nfs/dbraw/zinc/92/03/30/568920330.db2.gz JTRXAGQKEBNGGS-YSFYHYPLSA-N 0 0 411.502 4.514 40 5 HJBBRN Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015649718 568958063 /nfs/dbraw/zinc/95/80/63/568958063.db2.gz HAYONLUALFQIKT-UHFFFAOYSA-N 0 0 404.264 4.518 40 5 HJBBRN CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001440337 568968133 /nfs/dbraw/zinc/96/81/33/568968133.db2.gz LYHBCRHMGUFBMC-RQZCQDPDSA-N 0 0 416.817 4.542 40 5 HJBBRN Cc1ccc(C)c(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000223979894 569032883 /nfs/dbraw/zinc/03/28/83/569032883.db2.gz CPVQYBPFOOWZCA-HAVVHWLPSA-N 0 0 416.477 4.947 40 5 HJBBRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017087998 569274124 /nfs/dbraw/zinc/27/41/24/569274124.db2.gz KGHNKRMTNZUYBD-KRWDZBQOSA-N 0 0 408.502 4.826 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 ZINC000017092829 569274361 /nfs/dbraw/zinc/27/43/61/569274361.db2.gz HOPCRKFRFZKOEE-UHFFFAOYSA-N 0 0 421.906 4.718 40 5 HJBBRN Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 ZINC000010729936 569344485 /nfs/dbraw/zinc/34/44/85/569344485.db2.gz UMWZPPYKJJQXLJ-UHFFFAOYSA-N 0 0 403.467 4.838 40 5 HJBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)c2ccccc12 ZINC000033671793 569350949 /nfs/dbraw/zinc/35/09/49/569350949.db2.gz RWQUVOMDBJNWOX-UHFFFAOYSA-N 0 0 418.272 4.636 40 5 HJBBRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010542701 569396567 /nfs/dbraw/zinc/39/65/67/569396567.db2.gz IRQHGVRDXYJULJ-UHFFFAOYSA-N 0 0 414.820 4.896 40 5 HJBBRN Cc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1[N+](=O)[O-] ZINC000016347849 571308018 /nfs/dbraw/zinc/30/80/18/571308018.db2.gz WTNJNXKZWPXELI-UHFFFAOYSA-N 0 0 420.903 4.602 40 5 HJBBRN COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001060453 291277090 /nfs/dbraw/zinc/27/70/90/291277090.db2.gz QVTSETREFGZLNB-UHFFFAOYSA-N 0 0 417.373 4.596 40 5 HJBBRN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016383994 132463833 /nfs/dbraw/zinc/46/38/33/132463833.db2.gz TVJIHVYVFOUQSA-UHFFFAOYSA-N 0 0 414.676 4.517 40 5 HJBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)N1CCCCCC1 ZINC000035313202 557688899 /nfs/dbraw/zinc/68/88/99/557688899.db2.gz OTFWFVOHVQDVNI-UHFFFAOYSA-N 0 0 408.552 4.887 40 5 HJBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)c(C)c1 ZINC000408693809 557711468 /nfs/dbraw/zinc/71/14/68/557711468.db2.gz FDCCALOUHZFORW-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCCC3)C2=O)c(C)c1 ZINC000408537339 559216869 /nfs/dbraw/zinc/21/68/69/559216869.db2.gz ZZOLOQGGXLQMOY-UHFFFAOYSA-N 0 0 415.449 4.766 40 5 HJBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 ZINC000408567750 559218209 /nfs/dbraw/zinc/21/82/09/559218209.db2.gz HHOJNOJXGWNCMI-LJQANCHMSA-N 0 0 400.479 4.948 40 5 HJBBRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408563042 559218775 /nfs/dbraw/zinc/21/87/75/559218775.db2.gz TUVQHZRNYDCXEE-VZCXRCSSSA-N 0 0 401.875 4.848 40 5 HJBBRN CCc1ccc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1 ZINC000408606786 559221211 /nfs/dbraw/zinc/22/12/11/559221211.db2.gz PXZIGOZOPFCSGY-MDWZMJQESA-N 0 0 407.426 4.642 40 5 HJBBRN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 ZINC000409245490 559246786 /nfs/dbraw/zinc/24/67/86/559246786.db2.gz UOIPQDYPFKMZTP-NDENLUEZSA-N 0 0 417.421 4.565 40 5 HJBBRN O=C(/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 ZINC000100930859 560763285 /nfs/dbraw/zinc/76/32/85/560763285.db2.gz HXMYNEINBIGHMU-FCQUAONHSA-N 0 0 401.447 4.855 40 5 HJBBRN C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014792924 560850990 /nfs/dbraw/zinc/85/09/90/560850990.db2.gz UCOWKRRTDFZZSQ-IAOULYHDSA-N 0 0 415.449 4.738 40 5 HJBBRN CCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000057315874 568492053 /nfs/dbraw/zinc/49/20/53/568492053.db2.gz DWZARAGZEFTZQB-UHFFFAOYSA-N 0 0 424.501 4.822 40 5 HJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020140471 568590222 /nfs/dbraw/zinc/59/02/22/568590222.db2.gz VXHHMOKPUFFMQN-UHFFFAOYSA-N 0 0 404.378 4.859 40 5 HJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020142808 568590291 /nfs/dbraw/zinc/59/02/91/568590291.db2.gz HCWPJJNRXYYPLU-UHFFFAOYSA-N 0 0 421.453 4.590 40 5 HJBBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000260759241 568737721 /nfs/dbraw/zinc/73/77/21/568737721.db2.gz FJYFHGHKGHNWOV-CAYVGHNUSA-N 0 0 406.467 4.839 40 5 HJBBRN Nc1c(-c2ccc3ccccc3n2)c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 ZINC000001044100 568764600 /nfs/dbraw/zinc/76/46/00/568764600.db2.gz UUGOHBJAEUZKAI-UHFFFAOYSA-N 0 0 422.444 4.755 40 5 HJBBRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222847063 568795268 /nfs/dbraw/zinc/79/52/68/568795268.db2.gz KNWLHMJNIGOBDG-VQTJNVASSA-N 0 0 408.483 4.631 40 5 HJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222892635 568823201 /nfs/dbraw/zinc/82/32/01/568823201.db2.gz XVDZCKWRMIQGHU-WOJBJXKFSA-N 0 0 408.483 4.632 40 5 HJBBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000226767513 568823512 /nfs/dbraw/zinc/82/35/12/568823512.db2.gz UJNNAXLOJUACQI-UHFFFAOYSA-N 0 0 423.812 4.559 40 5 HJBBRN COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Cl)cc1)=N2 ZINC000004129804 568944774 /nfs/dbraw/zinc/94/47/74/568944774.db2.gz YINHDTJWYNPZFB-UHFFFAOYSA-N 0 0 406.829 4.691 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])CC1 ZINC000059294404 568950289 /nfs/dbraw/zinc/95/02/89/568950289.db2.gz FCFVQPUJFWUMGI-UHFFFAOYSA-N 0 0 418.837 4.645 40 5 HJBBRN Cc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C ZINC000223426227 569003934 /nfs/dbraw/zinc/00/39/34/569003934.db2.gz XIHWOCSWLHDDPI-JJIBRWJFSA-N 0 0 416.477 4.947 40 5 HJBBRN O=C(NCCOc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223424912 569003979 /nfs/dbraw/zinc/00/39/79/569003979.db2.gz AKTDPLNEIZMLFR-CJLVFECKSA-N 0 0 422.868 4.984 40 5 HJBBRN COc1cccc(OCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2OC)c1 ZINC000224259437 569056631 /nfs/dbraw/zinc/05/66/31/569056631.db2.gz GGHIRMCTOTZZQO-UHFFFAOYSA-N 0 0 422.437 4.752 40 5 HJBBRN COc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc2ccccc2c1Br ZINC000017091745 569274083 /nfs/dbraw/zinc/27/40/83/569274083.db2.gz WHPVZHKRRPCNNV-UHFFFAOYSA-N 0 0 419.206 4.911 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000215143293 569375036 /nfs/dbraw/zinc/37/50/36/569375036.db2.gz QQOOJYMOEAFBSX-LZYBPNLTSA-N 0 0 422.821 4.632 40 5 HJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000215145252 569375065 /nfs/dbraw/zinc/37/50/65/569375065.db2.gz OKOLAUPSHXKSLP-FRKPEAEDSA-N 0 0 422.821 4.632 40 5 HJBBRN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009659373 569393776 /nfs/dbraw/zinc/39/37/76/569393776.db2.gz CPNFHIBVVNHWQO-UHFFFAOYSA-N 0 0 422.328 4.703 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038853882 571087904 /nfs/dbraw/zinc/08/79/04/571087904.db2.gz UGKBYCWBLQZYGA-CQSZACIVSA-N 0 0 408.285 4.752 40 5 HJBBRN Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1SC(=S)NC1=O ZINC000008958959 571182344 /nfs/dbraw/zinc/18/23/44/571182344.db2.gz ZHTRLZKDICFWFU-BOPFTXTBSA-N 0 0 416.480 4.690 40 5 HJBBRN O=[N+]([O-])c1cccc(CNc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000328958985 571308224 /nfs/dbraw/zinc/30/82/24/571308224.db2.gz ASAXBUQLPDDHQO-UHFFFAOYSA-N 0 0 408.767 5.336 40 5 HJBBRN CCCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000032115581 519914803 /nfs/dbraw/zinc/91/48/03/519914803.db2.gz YMZSNGPKKJQKNS-UHFFFAOYSA-N 0 0 405.838 4.638 40 5 HJBBRN C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398833 524180401 /nfs/dbraw/zinc/18/04/01/524180401.db2.gz GYTRAJVVXCVVPT-HOYKHHGWSA-N 0 0 413.521 4.705 40 5 HJBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398759 524414757 /nfs/dbraw/zinc/41/47/57/524414757.db2.gz XRZJMGCZMKEROC-GGUMNFRJSA-N 0 0 413.521 4.757 40 5 HJBBRN O=C1c2ccccc2-c2ccc(-n3c(=O)c4ccccc4c4ccccc4c3=O)cc21 ZINC000001694593 557281042 /nfs/dbraw/zinc/28/10/42/557281042.db2.gz LWXYCJWUHOEZOF-UHFFFAOYSA-N 0 0 401.421 4.716 40 5 HJBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] ZINC000408624114 557552080 /nfs/dbraw/zinc/55/20/80/557552080.db2.gz UOXHCHFYIHPOKH-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN Cc1cc(C)c(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c(Br)c1 ZINC000072228858 559170099 /nfs/dbraw/zinc/17/00/99/559170099.db2.gz ITVIECUEUXERAG-UHFFFAOYSA-N 0 0 407.264 4.608 40 5 HJBBRN CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 ZINC000408562112 559218452 /nfs/dbraw/zinc/21/84/52/559218452.db2.gz MUAVFEHWDYPXLF-LNVKXUELSA-N 0 0 413.474 4.977 40 5 HJBBRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408563403 559218688 /nfs/dbraw/zinc/21/86/88/559218688.db2.gz VRVZLVJIHDWWST-QOCHGBHMSA-N 0 0 419.865 4.987 40 5 HJBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc32)n1-c1ccc(F)cc1 ZINC000408571003 559219104 /nfs/dbraw/zinc/21/91/04/559219104.db2.gz MRURZNOILFSOGU-FQEVSTJZSA-N 0 0 408.458 4.978 40 5 HJBBRN CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 ZINC000408577191 559219113 /nfs/dbraw/zinc/21/91/13/559219113.db2.gz YQGUTBVCYBSJQW-QGZVFWFLSA-N 0 0 404.492 4.547 40 5 HJBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C ZINC000408623772 559221802 /nfs/dbraw/zinc/22/18/02/559221802.db2.gz RYUWLAWHTAWSSK-UHFFFAOYSA-N 0 0 401.532 4.631 40 5 HJBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccccc2C)cc1 ZINC000408694591 559224487 /nfs/dbraw/zinc/22/44/87/559224487.db2.gz KRWFDDAXLATOOU-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2)cc1 ZINC000408695885 559224503 /nfs/dbraw/zinc/22/45/03/559224503.db2.gz UPKPLFAFYCAAEY-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(OC)c1 ZINC000408908940 559231216 /nfs/dbraw/zinc/23/12/16/559231216.db2.gz ZCOLOQZHKPCQEU-XSFVSMFZSA-N 0 0 404.422 4.791 40 5 HJBBRN CC1(C)CC(=O)c2c(nc3c(c2-c2cccc([N+](=O)[O-])c2)[C@@H](O)c2ccccc2-3)C1 ZINC000408992092 559235971 /nfs/dbraw/zinc/23/59/71/559235971.db2.gz ZMLSEFQIGFDIHO-QHCPKHFHSA-N 0 0 400.434 4.874 40 5 HJBBRN O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000409177350 559243667 /nfs/dbraw/zinc/24/36/67/559243667.db2.gz FDEHILYRALLWPU-UHFFFAOYSA-N 0 0 411.410 4.925 40 5 HJBBRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000004851717 560611519 /nfs/dbraw/zinc/61/15/19/560611519.db2.gz NMNSUTBVWGSTCG-XKZIYDEJSA-N 0 0 414.417 4.827 40 5 HJBBRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1(c2ccc(F)cc2)CCCC1 ZINC000004933324 560615672 /nfs/dbraw/zinc/61/56/72/560615672.db2.gz YYMTUFJIZCTZIG-UHFFFAOYSA-N 0 0 414.480 4.880 40 5 HJBBRN O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1 ZINC000409204928 560694175 /nfs/dbraw/zinc/69/41/75/560694175.db2.gz DLFVZHVHDAFLRO-GZTJUZNOSA-N 0 0 423.812 4.601 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409241971 560702480 /nfs/dbraw/zinc/70/24/80/560702480.db2.gz ZPBRTTCWANBCKN-WOJGMQOQSA-N 0 0 423.812 4.914 40 5 HJBBRN O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2ccccc12 ZINC000409253789 560703760 /nfs/dbraw/zinc/70/37/60/560703760.db2.gz CBWFIPGTWYXUDM-UHFFFAOYSA-N 0 0 412.199 4.521 40 5 HJBBRN CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000024522552 560843515 /nfs/dbraw/zinc/84/35/15/560843515.db2.gz IZUCGDDHQMDCNZ-RTWAWAEBSA-N 0 0 410.470 4.646 40 5 HJBBRN O=C(Nc1ccc(CSc2nc[nH]n2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020611346 568636242 /nfs/dbraw/zinc/63/62/42/568636242.db2.gz MTAMYTZDZUEUOU-UHFFFAOYSA-N 0 0 421.438 4.518 40 5 HJBBRN Cc1cccc2cc3c(N)c(-c4nnc(-c5ccccc5[N+](=O)[O-])o4)sc3nc12 ZINC000000872645 568726330 /nfs/dbraw/zinc/72/63/30/568726330.db2.gz PIFKCDHMDQIGDJ-UHFFFAOYSA-N 0 0 403.423 4.965 40 5 HJBBRN Cc1cc2occ(CC(=O)Nc3cc([N+](=O)[O-])ccc3Br)c2c(C)c1 ZINC000001105723 568772100 /nfs/dbraw/zinc/77/21/00/568772100.db2.gz YOJAZNKGAITHBD-UHFFFAOYSA-N 0 0 403.232 4.902 40 5 HJBBRN Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000225580654 568774693 /nfs/dbraw/zinc/77/46/93/568774693.db2.gz CCORLTBQQHNHID-UHFFFAOYSA-N 0 0 405.857 4.546 40 5 HJBBRN O=C(CSC1=NCCS1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000261526777 568821178 /nfs/dbraw/zinc/82/11/78/568821178.db2.gz KFOIRWRWHYDWQP-UHFFFAOYSA-N 0 0 405.526 4.521 40 5 HJBBRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222945700 568868127 /nfs/dbraw/zinc/86/81/27/568868127.db2.gz VTYINDWPSOZUME-SFTDATJTSA-N 0 0 422.510 4.878 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000059500395 568956799 /nfs/dbraw/zinc/95/67/99/568956799.db2.gz GUZQUGHRGNYXBL-FGEXJBCWSA-N 0 0 424.456 4.556 40 5 HJBBRN Cc1ccc(S(=O)(=O)c2nc(Nc3cccc([N+](=O)[O-])c3)sc2Cl)cc1 ZINC000008036203 568969259 /nfs/dbraw/zinc/96/92/59/568969259.db2.gz YFAJUIRLZIYYBQ-UHFFFAOYSA-N 0 0 409.876 4.590 40 5 HJBBRN CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016161710 569029528 /nfs/dbraw/zinc/02/95/28/569029528.db2.gz WJOARFNBPJBGBW-NHCUHLMSSA-N 0 0 410.470 4.646 40 5 HJBBRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017089033 569273296 /nfs/dbraw/zinc/27/32/96/569273296.db2.gz TZJIUKIXFPDDIZ-FARCUNLSSA-N 0 0 411.639 4.671 40 5 HJBBRN O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215018845 569324791 /nfs/dbraw/zinc/32/47/91/569324791.db2.gz GHGUUNYPEMEYHJ-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN CCNc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006311975 569330581 /nfs/dbraw/zinc/33/05/81/569330581.db2.gz UUQHKIRHUMHSRK-QFIPXVFZSA-N 0 0 404.422 4.808 40 5 HJBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc21 ZINC000008209329 569339848 /nfs/dbraw/zinc/33/98/48/569339848.db2.gz JWNMWWKWMWURFJ-UHFFFAOYSA-N 0 0 406.423 4.529 40 5 HJBBRN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCCC2)c1 ZINC000107978054 569353240 /nfs/dbraw/zinc/35/32/40/569353240.db2.gz SGJRJABUYSNGIW-UHFFFAOYSA-N 0 0 421.316 4.708 40 5 HJBBRN Cc1cc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)ccc1[N+](=O)[O-] ZINC000008902735 569390841 /nfs/dbraw/zinc/39/08/41/569390841.db2.gz GAZFWXGXIKVSPL-UHFFFAOYSA-N 0 0 422.422 4.611 40 5 HJBBRN CC[C@@H](C)Oc1cccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)c1 ZINC000010010642 569394928 /nfs/dbraw/zinc/39/49/28/569394928.db2.gz CDFOBQQCHJRNPS-LLVKDONJSA-N 0 0 401.444 4.643 40 5 HJBBRN CCCCOc1cccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)c1 ZINC000010010573 569394959 /nfs/dbraw/zinc/39/49/59/569394959.db2.gz QTQFLIGRJBIUFW-UHFFFAOYSA-N 0 0 401.444 4.644 40 5 HJBBRN CCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1[N+](=O)[O-] ZINC000010120027 569395137 /nfs/dbraw/zinc/39/51/37/569395137.db2.gz SKLDXWAGKIDBSK-UHFFFAOYSA-N 0 0 417.421 4.978 40 5 HJBBRN COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl ZINC000225508603 569403600 /nfs/dbraw/zinc/40/36/00/569403600.db2.gz GMBSTNVOPAQIIZ-UHFFFAOYSA-N 0 0 418.877 4.724 40 5 HJBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 ZINC000225860170 521052148 /nfs/dbraw/zinc/05/21/48/521052148.db2.gz WILMSAANCKSAFH-UHFFFAOYSA-N 0 0 405.454 4.992 40 5 HJBBRN Cc1ccc(C2(c3ccc(C)cc3)OC(=O)c3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)cc1 ZINC000004430185 558531503 /nfs/dbraw/zinc/53/15/03/558531503.db2.gz VAGFAPXADCXDIN-UHFFFAOYSA-N 0 0 404.378 4.582 40 5 HJBBRN O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000219465050 558591700 /nfs/dbraw/zinc/59/17/00/558591700.db2.gz RODIGAGHELSQFY-UHFFFAOYSA-N 0 0 409.829 4.781 40 5 HJBBRN O=C1NC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 ZINC000013546665 558842384 /nfs/dbraw/zinc/84/23/84/558842384.db2.gz NWGMWDLBDNVMEO-LFIBNONCSA-N 0 0 409.785 4.606 40 5 HJBBRN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1-c1nc2ccccc2o1 ZINC000013602430 558846531 /nfs/dbraw/zinc/84/65/31/558846531.db2.gz VLYGLSUXDNYCET-UHFFFAOYSA-N 0 0 418.365 4.872 40 5 HJBBRN C[C@H]1[C@@H]2NC(=S)N(c3ccccc3C(F)(F)F)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000004767739 559053273 /nfs/dbraw/zinc/05/32/73/559053273.db2.gz INWAIRBJADEMBM-BMIZZYGASA-N 0 0 423.416 4.794 40 5 HJBBRN CC1CCN(c2cc(NC(=O)COc3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229610 559169993 /nfs/dbraw/zinc/16/99/93/559169993.db2.gz UIQYPRZZLWTIFE-UHFFFAOYSA-N 0 0 403.866 4.502 40 5 HJBBRN O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000072229259 559170195 /nfs/dbraw/zinc/17/01/95/559170195.db2.gz QJUYGCLFBJPRON-UHFFFAOYSA-N 0 0 424.682 4.863 40 5 HJBBRN Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cccc1[N+](=O)[O-] ZINC000014649528 559171843 /nfs/dbraw/zinc/17/18/43/559171843.db2.gz FTNBETSJCQAQBB-UHFFFAOYSA-N 0 0 421.291 4.981 40 5 HJBBRN O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000408527807 559214809 /nfs/dbraw/zinc/21/48/09/559214809.db2.gz CQMUSFRBMYBECO-BQYQJAHWSA-N 0 0 414.343 4.723 40 5 HJBBRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408560962 559219201 /nfs/dbraw/zinc/21/92/01/559219201.db2.gz GDOHCOKWPNRPOF-QOCHGBHMSA-N 0 0 419.865 4.987 40 5 HJBBRN CCc1sc(C)nc1-c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408579193 559219304 /nfs/dbraw/zinc/21/93/04/559219304.db2.gz DNGPJVPFUOQVFX-UHFFFAOYSA-N 0 0 410.451 4.629 40 5 HJBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000408576522 559219488 /nfs/dbraw/zinc/21/94/88/559219488.db2.gz XOQDROHNUJKZBN-FQEVSTJZSA-N 0 0 412.515 4.818 40 5 HJBBRN O=C(OCC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408617525 559221609 /nfs/dbraw/zinc/22/16/09/559221609.db2.gz CNKXQBWPSIMMRE-UHFFFAOYSA-N 0 0 403.749 4.687 40 5 HJBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2c(Cl)cccc12 ZINC000408620482 559221754 /nfs/dbraw/zinc/22/17/54/559221754.db2.gz JKPXMGGUQUORBR-UHFFFAOYSA-N 0 0 403.822 4.667 40 5 HJBBRN Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000409178062 559243648 /nfs/dbraw/zinc/24/36/48/559243648.db2.gz INFMMRHDQWBQNX-NRFANRHFSA-N 0 0 420.377 4.592 40 5 HJBBRN COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC ZINC000408923863 560654872 /nfs/dbraw/zinc/65/48/72/560654872.db2.gz HLRJHDAAWDZWIV-XSFVSMFZSA-N 0 0 404.422 4.791 40 5 HJBBRN COc1cc2nc3ccc(NC(=S)NCCC4=CCCCC4)cc3nc2cc1OC ZINC000408993351 560663031 /nfs/dbraw/zinc/66/30/31/560663031.db2.gz DJSZLIQBOIIZLX-UHFFFAOYSA-N 0 0 422.554 4.977 40 5 HJBBRN COCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000409104165 560675576 /nfs/dbraw/zinc/67/55/76/560675576.db2.gz FYHWNIGLJCJXRJ-UHFFFAOYSA-N 0 0 424.404 4.670 40 5 HJBBRN O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409181808 560688484 /nfs/dbraw/zinc/68/84/84/560688484.db2.gz FJPNUSPINYPISB-UHFFFAOYSA-N 0 0 404.422 4.646 40 5 HJBBRN O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1 ZINC000409200385 560692599 /nfs/dbraw/zinc/69/25/99/560692599.db2.gz RRRRVHOKQHSXHO-WOJGMQOQSA-N 0 0 423.812 4.601 40 5 HJBBRN O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000015009192 560763127 /nfs/dbraw/zinc/76/31/27/560763127.db2.gz DHWMYDKSVLCPPI-OQLLNIDSSA-N 0 0 408.357 4.850 40 5 HJBBRN O=C(/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccccc1 ZINC000100930850 560763271 /nfs/dbraw/zinc/76/32/71/560763271.db2.gz BKVPGHJUIZBONE-FCQUAONHSA-N 0 0 401.447 4.855 40 5 HJBBRN C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000014792837 560850988 /nfs/dbraw/zinc/85/09/88/560850988.db2.gz JNNKCBROGHKROG-MAUBAPBLSA-N 0 0 415.449 4.738 40 5 HJBBRN C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014792925 560850997 /nfs/dbraw/zinc/85/09/97/560850997.db2.gz UCOWKRRTDFZZSQ-ZWKQNVPVSA-N 0 0 415.449 4.738 40 5 HJBBRN O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106724389 560893372 /nfs/dbraw/zinc/89/33/72/560893372.db2.gz DVDYDKXXHRJUGH-DHDCSXOGSA-N 0 0 419.256 4.594 40 5 HJBBRN CCn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000106739201 560893531 /nfs/dbraw/zinc/89/35/31/560893531.db2.gz HGBSAUWVJFBCSX-ODLFYWEKSA-N 0 0 407.451 4.806 40 5 HJBBRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000106739184 560893590 /nfs/dbraw/zinc/89/35/90/560893590.db2.gz XONWPPYBWAIMPH-YVLHZVERSA-N 0 0 418.858 4.883 40 5 HJBBRN CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21 ZINC000106729065 560893596 /nfs/dbraw/zinc/89/35/96/560893596.db2.gz DLFHNQBQFFEPBT-ODLFYWEKSA-N 0 0 407.451 4.806 40 5 HJBBRN CCc1ccc([C@@H]2N[C@@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 ZINC000020290481 568597965 /nfs/dbraw/zinc/59/79/65/568597965.db2.gz JTRXAGQKEBNGGS-FNAHDJPLSA-N 0 0 411.502 4.514 40 5 HJBBRN O=[N+]([O-])c1cccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000000855512 568711604 /nfs/dbraw/zinc/71/16/04/568711604.db2.gz VHUYULQITJEZPR-UHFFFAOYSA-N 0 0 402.859 4.644 40 5 HJBBRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222847003 568794884 /nfs/dbraw/zinc/79/48/84/568794884.db2.gz KNWLHMJNIGOBDG-UXHICEINSA-N 0 0 408.483 4.631 40 5 HJBBRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222856508 568821311 /nfs/dbraw/zinc/82/13/11/568821311.db2.gz LWGYRNGQYHWEJA-PMACEKPBSA-N 0 0 408.483 4.631 40 5 HJBBRN COc1ccc(-c2ccc(C(=O)n3c(C)c(C=O)c4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000226767767 568823479 /nfs/dbraw/zinc/82/34/79/568823479.db2.gz LUDKSAQYMXHDFC-UHFFFAOYSA-N 0 0 404.378 4.628 40 5 HJBBRN O=C(CSCc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000218194803 568835105 /nfs/dbraw/zinc/83/51/05/568835105.db2.gz ASAPXBBYZYJFHD-UHFFFAOYSA-N 0 0 415.696 4.883 40 5 HJBBRN COc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000034990118 568835328 /nfs/dbraw/zinc/83/53/28/568835328.db2.gz WEVQXMXYWHILJA-UHFFFAOYSA-N 0 0 416.069 4.741 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3)cc2[N+](=O)[O-])CC1 ZINC000006417459 569046865 /nfs/dbraw/zinc/04/68/65/569046865.db2.gz MOMFIXRFOBYYHY-UHFFFAOYSA-N 0 0 418.291 4.846 40 5 HJBBRN O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 ZINC000001843052 569056425 /nfs/dbraw/zinc/05/64/25/569056425.db2.gz KCEDGJCNSXBJOR-BJKOFHAPSA-N 0 0 421.541 4.859 40 5 HJBBRN O=C(Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000006615680 569074251 /nfs/dbraw/zinc/07/42/51/569074251.db2.gz KZJOHVVTZLDOOG-UHFFFAOYSA-N 0 0 404.264 4.600 40 5 HJBBRN CCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Br ZINC000017092883 569273967 /nfs/dbraw/zinc/27/39/67/569273967.db2.gz CGCZVIGKLHYZST-UHFFFAOYSA-N 0 0 422.260 4.618 40 5 HJBBRN Cc1noc(/C=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1[N+](=O)[O-] ZINC000006389768 569331997 /nfs/dbraw/zinc/33/19/97/569331997.db2.gz UMBZRQHVSPCJHY-DHZHZOJOSA-N 0 0 404.382 4.973 40 5 HJBBRN Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000006479708 569333017 /nfs/dbraw/zinc/33/30/17/569333017.db2.gz GDSSCGRLRGLSGE-UHFFFAOYSA-N 0 0 405.406 4.522 40 5 HJBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCCC2)cc1 ZINC000033675670 569351000 /nfs/dbraw/zinc/35/10/00/569351000.db2.gz QBTHCTPIFKTPNY-UHFFFAOYSA-N 0 0 421.316 4.708 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2[N+](=O)[O-])CC1 ZINC000019162895 569414287 /nfs/dbraw/zinc/41/42/87/569414287.db2.gz WGZCNCDQJVVHRD-UHFFFAOYSA-N 0 0 418.837 4.645 40 5 HJBBRN COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CCC(C)(C)O4 ZINC000013382496 291276237 /nfs/dbraw/zinc/27/62/37/291276237.db2.gz KJCDBAVVDILRMP-UHFFFAOYSA-N 0 0 410.466 4.978 40 5 endogenous,in-man HJBBRN CCCCCCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398823 520140017 /nfs/dbraw/zinc/14/00/17/520140017.db2.gz CNPBWHDLNMGTPA-UHFFFAOYSA-N 0 0 401.510 4.534 40 5 HJBBRN C[C@@H]1CCCC[C@@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398831 524153006 /nfs/dbraw/zinc/15/30/06/524153006.db2.gz GYTRAJVVXCVVPT-KOSHJBKYSA-N 0 0 413.521 4.705 40 5 HJBBRN COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000044880567 525347954 /nfs/dbraw/zinc/34/79/54/525347954.db2.gz CDQZOUVAPWTJMF-FQEVSTJZSA-N 0 0 402.516 4.740 40 5 HJBBRN C[C@H]1CCCN(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)C1 ZINC000035313200 557688911 /nfs/dbraw/zinc/68/89/11/557688911.db2.gz GIGMIRPWSWBFCJ-ZDUSSCGKSA-N 0 0 408.552 4.743 40 5 HJBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c1 ZINC000408695871 557710285 /nfs/dbraw/zinc/71/02/85/557710285.db2.gz UJOQUZGCSVKUTE-UHFFFAOYSA-N 0 0 417.400 4.542 40 5 HJBBRN S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCC1 ZINC000006896444 557729249 /nfs/dbraw/zinc/72/92/49/557729249.db2.gz AFIJSALHGIDTDY-UHFFFAOYSA-N 0 0 410.506 4.672 40 5 HJBBRN CC(=O)Oc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010040182 557854541 /nfs/dbraw/zinc/85/45/41/557854541.db2.gz BVTLENLNSZJBAS-UHFFFAOYSA-N 0 0 407.378 4.669 40 5 HJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)[C@@H]1[N+](=O)[O-] ZINC000013786085 558869503 /nfs/dbraw/zinc/86/95/03/558869503.db2.gz UPLODQWJFKBBKR-MHORFTMASA-N 0 0 424.284 4.696 40 5 HJBBRN O=C(COc1ccc(Cl)cc1CNc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000408556906 559217992 /nfs/dbraw/zinc/21/79/92/559217992.db2.gz KTYZHSHAJFSBPE-UHFFFAOYSA-N 0 0 411.845 4.878 40 5 HJBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OC ZINC000408564891 559218323 /nfs/dbraw/zinc/21/83/23/559218323.db2.gz ARFCHBQTHSPGEI-HNNXBMFYSA-N 0 0 419.275 4.746 40 5 HJBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc3ccccc32)cc1 ZINC000408567673 559218539 /nfs/dbraw/zinc/21/85/39/559218539.db2.gz HCKGUCSOFSFKDA-OAQYLSRUSA-N 0 0 420.494 4.848 40 5 HJBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408569183 559218565 /nfs/dbraw/zinc/21/85/65/559218565.db2.gz JBHCSFGPHKYLFM-MRXNPFEDSA-N 0 0 409.298 4.993 40 5 HJBBRN CCOc1ccccc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000408572404 559219462 /nfs/dbraw/zinc/21/94/62/559219462.db2.gz RASWSNHKZSNOFE-SFHVURJKSA-N 0 0 418.906 4.738 40 5 HJBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408610570 559221321 /nfs/dbraw/zinc/22/13/21/559221321.db2.gz QFVMDZGRUYCBHF-UHFFFAOYSA-N 0 0 409.398 4.703 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408622677 559221861 /nfs/dbraw/zinc/22/18/61/559221861.db2.gz QLFLCNAAOJGERF-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000408625617 559221917 /nfs/dbraw/zinc/22/19/17/559221917.db2.gz XRIFXFFZVIAYMN-UHFFFAOYSA-N 0 0 423.263 4.715 40 5 HJBBRN Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1[N+](=O)[O-] ZINC000408713970 559225023 /nfs/dbraw/zinc/22/50/23/559225023.db2.gz DXLUODWIWGXIJC-UHFFFAOYSA-N 0 0 408.458 4.523 40 5 HJBBRN O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(O)c1 ZINC000005376179 560573618 /nfs/dbraw/zinc/57/36/18/560573618.db2.gz BAXJRAXTVGOTKH-WQRHYEAKSA-N 0 0 408.391 4.801 40 5 HJBBRN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1C(C)(C)C ZINC000005480847 560595678 /nfs/dbraw/zinc/59/56/78/560595678.db2.gz LQYVVBNBZGUZJZ-IBGZPJMESA-N 0 0 400.866 4.770 40 5 HJBBRN O=[N+]([O-])c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000005513784 560602451 /nfs/dbraw/zinc/60/24/51/560602451.db2.gz MFXAUNGWPDPAMP-NRFANRHFSA-N 0 0 406.373 4.998 40 5 HJBBRN Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000408980011 560661429 /nfs/dbraw/zinc/66/14/29/560661429.db2.gz PKJZZXIHNKMBTM-OAQYLSRUSA-N 0 0 417.465 4.712 40 5 HJBBRN Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000409177444 560687391 /nfs/dbraw/zinc/68/73/91/560687391.db2.gz ASMCOZVDKWDDDZ-OAQYLSRUSA-N 0 0 420.377 4.592 40 5 HJBBRN COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000409229607 560698505 /nfs/dbraw/zinc/69/85/05/560698505.db2.gz RTJKLFYLJIXWAY-MHWRWJLKSA-N 0 0 422.846 4.581 40 5 HJBBRN O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728658 560893478 /nfs/dbraw/zinc/89/34/78/560893478.db2.gz VWORAEYJXXXHML-DHDCSXOGSA-N 0 0 408.357 4.850 40 5 HJBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020142600 568590330 /nfs/dbraw/zinc/59/03/30/568590330.db2.gz JJFARYHYCZPTOF-UHFFFAOYSA-N 0 0 421.453 4.590 40 5 HJBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1sc2ccccc2c1Cl ZINC000020410807 568604803 /nfs/dbraw/zinc/60/48/03/568604803.db2.gz ZNCMYWQOPHYHCF-UHFFFAOYSA-N 0 0 417.874 4.552 40 5 HJBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 ZINC000020411463 568604974 /nfs/dbraw/zinc/60/49/74/568604974.db2.gz WSXLWPZSCPOAKY-UHFFFAOYSA-N 0 0 413.455 4.722 40 5 HJBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000033408362 568697111 /nfs/dbraw/zinc/69/71/11/568697111.db2.gz SKZQTFYBRZYTSI-UHFFFAOYSA-N 0 0 404.791 4.532 40 5 HJBBRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Br ZINC000033718050 568697671 /nfs/dbraw/zinc/69/76/71/568697671.db2.gz CGIJQVKVFMACNY-UHFFFAOYSA-N 0 0 404.264 4.518 40 5 HJBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 ZINC000222709639 568769118 /nfs/dbraw/zinc/76/91/18/568769118.db2.gz ZQBMZWGUQYZSOC-IWMITWMQSA-N 0 0 419.510 4.760 40 5 HJBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 ZINC000225866115 568783519 /nfs/dbraw/zinc/78/35/19/568783519.db2.gz PSXXBWUPABKVLO-UHFFFAOYSA-N 0 0 405.454 4.992 40 5 HJBBRN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000216096077 568815028 /nfs/dbraw/zinc/81/50/28/568815028.db2.gz HPYNLXAJXOXCQW-UHFFFAOYSA-N 0 0 402.863 4.710 40 5 HJBBRN COC(=O)c1c(C)n(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2ccccc21 ZINC000226768654 568823486 /nfs/dbraw/zinc/82/34/86/568823486.db2.gz BSFZPKLWANUXKV-UHFFFAOYSA-N 0 0 418.405 4.901 40 5 HJBBRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222936949 568838609 /nfs/dbraw/zinc/83/86/09/568838609.db2.gz GDHVSPUJSXAFGL-SFTDATJTSA-N 0 0 422.510 4.878 40 5 HJBBRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222937116 568838613 /nfs/dbraw/zinc/83/86/13/568838613.db2.gz GDHVSPUJSXAFGL-NHCUHLMSSA-N 0 0 422.510 4.878 40 5 HJBBRN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1 ZINC000026608290 569043382 /nfs/dbraw/zinc/04/33/82/569043382.db2.gz QKMXOUIYSCWMDZ-BOPFTXTBSA-N 0 0 416.480 4.690 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3cccc(Br)c3)cc2[N+](=O)[O-])CC1 ZINC000006417460 569046807 /nfs/dbraw/zinc/04/68/07/569046807.db2.gz BLEYSLLYBUGYKO-UHFFFAOYSA-N 0 0 418.291 4.846 40 5 HJBBRN O=C(c1ccccc1)[C@H]([C@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 ZINC000001843053 569056431 /nfs/dbraw/zinc/05/64/31/569056431.db2.gz KCEDGJCNSXBJOR-ZEQRLZLVSA-N 0 0 421.541 4.859 40 5 HJBBRN COc1ccc(OCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2OC)cc1 ZINC000224271343 569056750 /nfs/dbraw/zinc/05/67/50/569056750.db2.gz ZVIPPRLDZALSJK-UHFFFAOYSA-N 0 0 422.437 4.752 40 5 HJBBRN Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000017092701 569273589 /nfs/dbraw/zinc/27/35/89/569273589.db2.gz PAQGKWOEVOSYEK-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000006479706 569332957 /nfs/dbraw/zinc/33/29/57/569332957.db2.gz WZMGSLWOCQFJSH-UHFFFAOYSA-N 0 0 419.433 4.830 40 5 HJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000008475353 569341248 /nfs/dbraw/zinc/34/12/48/569341248.db2.gz XHBJYPAATUKRFX-JOCHJYFZSA-N 0 0 409.463 4.691 40 5 HJBBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000014792595 569344883 /nfs/dbraw/zinc/34/48/83/569344883.db2.gz YKIOOWOAVYNHSH-INIZCTEOSA-N 0 0 403.438 4.647 40 5 HJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1cccc(Cl)c1 ZINC000020238365 569349544 /nfs/dbraw/zinc/34/95/44/569349544.db2.gz OUOSUEXBSDTTSG-UHFFFAOYSA-N 0 0 410.948 4.531 40 5 HJBBRN O=[N+]([O-])C[C@H](Nc1ccccc1)c1cccc([C@@H](C[N+](=O)[O-])Nc2ccccc2)c1 ZINC000013403675 569413240 /nfs/dbraw/zinc/41/32/40/569413240.db2.gz MKKZTEXEWNZAPK-SZPZYZBQSA-N 0 0 406.442 4.546 40 5 HJBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329011408 569423528 /nfs/dbraw/zinc/42/35/28/569423528.db2.gz MECUTESPFQXPKK-UHFFFAOYSA-N 0 0 407.449 4.523 40 5 HJBBRN C[C@H]1[C@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)CCC[C@@H]1C ZINC000040398762 525115305 /nfs/dbraw/zinc/11/53/05/525115305.db2.gz XRZJMGCZMKEROC-HOOSLVGPSA-N 0 0 413.521 4.757 40 5 HJBBRN CCOC(=O)C(O)=C(CCc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCC ZINC000001593340 557275278 /nfs/dbraw/zinc/27/52/78/557275278.db2.gz YMWNHIYMPTXDTO-NRFANRHFSA-N 0 0 416.473 4.828 40 5 HJBBRN O=C(CSc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000019927351 558308187 /nfs/dbraw/zinc/30/81/87/558308187.db2.gz FNFXTCOPVDGZPC-UHFFFAOYSA-N 0 0 410.238 4.927 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014413610 559165591 /nfs/dbraw/zinc/16/55/91/559165591.db2.gz FBUNGCRSJFMCFV-DEDYPNTBSA-N 0 0 403.394 4.991 40 5 HJBBRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408561714 559218371 /nfs/dbraw/zinc/21/83/71/559218371.db2.gz KKUFWOKAXXDJIR-VZCXRCSSSA-N 0 0 401.875 4.848 40 5 HJBBRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408561701 559219098 /nfs/dbraw/zinc/21/90/98/559219098.db2.gz KIAWRRJLOUOQKJ-VZCXRCSSSA-N 0 0 401.875 4.848 40 5 HJBBRN O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)cc1 ZINC000408603896 559220901 /nfs/dbraw/zinc/22/09/01/559220901.db2.gz CAKWPCYGPILHNN-UHFFFAOYSA-N 0 0 411.845 4.878 40 5 HJBBRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2ccccc2O)c(C)c1 ZINC000408607497 559221316 /nfs/dbraw/zinc/22/13/16/559221316.db2.gz SQKPESIIRRHBSA-UHFFFAOYSA-N 0 0 419.466 4.711 40 5 HJBBRN O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 ZINC000408612149 559221538 /nfs/dbraw/zinc/22/15/38/559221538.db2.gz UNTCRGLTVVBCCP-UHFFFAOYSA-N 0 0 411.845 4.878 40 5 HJBBRN COc1ccccc1OCCNC(=O)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408717895 559224989 /nfs/dbraw/zinc/22/49/89/559224989.db2.gz OINUVLUUTRLZSY-UHFFFAOYSA-N 0 0 416.377 4.503 40 5 HJBBRN Cc1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409173469 559243566 /nfs/dbraw/zinc/24/35/66/559243566.db2.gz NRWMLHYVVRWYBP-GZTJUZNOSA-N 0 0 423.812 4.914 40 5 HJBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409180421 559243669 /nfs/dbraw/zinc/24/36/69/559243669.db2.gz SHFPFCCKAWSFEU-QFIPXVFZSA-N 0 0 409.825 4.958 40 5 HJBBRN COC(=O)c1cn(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2ccccc12 ZINC000226768672 559273978 /nfs/dbraw/zinc/27/39/78/559273978.db2.gz VHGDJCISPNABAB-UHFFFAOYSA-N 0 0 404.378 4.593 40 5 HJBBRN CCN(CC)C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408974264 560659859 /nfs/dbraw/zinc/65/98/59/560659859.db2.gz DRAGGELGHIAKKH-UHFFFAOYSA-N 0 0 412.522 4.918 40 5 HJBBRN CCN(CC)C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974754 560660010 /nfs/dbraw/zinc/66/00/10/560660010.db2.gz DKAJTAFFEVPPBI-UHFFFAOYSA-N 0 0 412.522 4.918 40 5 HJBBRN COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1[N+](=O)[O-] ZINC000408994454 560663138 /nfs/dbraw/zinc/66/31/38/560663138.db2.gz GCKVIAYEECHNHX-TZYHBYERSA-N 0 0 417.421 4.983 40 5 HJBBRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014002855 560837407 /nfs/dbraw/zinc/83/74/07/560837407.db2.gz GGEZKRHKFIKJRT-UHFFFAOYSA-N 0 0 401.850 4.517 40 5 HJBBRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000014792860 560850995 /nfs/dbraw/zinc/85/09/95/560850995.db2.gz BNABTCSJBXLDPG-CQSZACIVSA-N 0 0 423.856 4.992 40 5 HJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000021124297 568461641 /nfs/dbraw/zinc/46/16/41/568461641.db2.gz KTAIJUXDNGJORG-UHFFFAOYSA-N 0 0 417.761 4.677 40 5 HJBBRN COc1ccccc1CN(C)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020484640 568612500 /nfs/dbraw/zinc/61/25/00/568612500.db2.gz HWYFBMRCMTVPHB-CJLVFECKSA-N 0 0 402.450 4.803 40 5 HJBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 ZINC000222709229 568769104 /nfs/dbraw/zinc/76/91/04/568769104.db2.gz DPQMJULSCUARIY-ONGXBYRLSA-N 0 0 419.510 4.760 40 5 HJBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC1CCCC1 ZINC000225564935 568773987 /nfs/dbraw/zinc/77/39/87/568773987.db2.gz PSISVPNAXHUGIV-UHFFFAOYSA-N 0 0 424.497 4.912 40 5 HJBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000004012480 568933361 /nfs/dbraw/zinc/93/33/61/568933361.db2.gz FBJWYSYZIRRIOH-MOUTVQLLSA-N 0 0 424.456 4.838 40 5 HJBBRN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000059417253 568953073 /nfs/dbraw/zinc/95/30/73/568953073.db2.gz YAFUIOTZRGCFRX-UHFFFAOYSA-N 0 0 412.401 4.850 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2[N+](=O)[O-])CC1 ZINC000016027676 569027887 /nfs/dbraw/zinc/02/78/87/569027887.db2.gz OIXPECQOSGKGAG-UHFFFAOYSA-N 0 0 418.291 4.846 40 5 HJBBRN CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224770867 569288906 /nfs/dbraw/zinc/28/89/06/569288906.db2.gz MEWHQCPNMMOZBK-UHFFFAOYSA-N 0 0 412.467 4.911 40 5 HJBBRN CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224780594 569289561 /nfs/dbraw/zinc/28/95/61/569289561.db2.gz OWMKQNDDQYUKDY-UHFFFAOYSA-N 0 0 422.812 4.791 40 5 HJBBRN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br ZINC000215047976 569325357 /nfs/dbraw/zinc/32/53/57/569325357.db2.gz UXTXHWPLBODXMJ-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN O=C(Cc1ccc(Cl)cc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006595801 569333669 /nfs/dbraw/zinc/33/36/69/569333669.db2.gz FETRVDFAXTYVDM-QFIPXVFZSA-N 0 0 409.825 4.958 40 5 HJBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000033765252 569351344 /nfs/dbraw/zinc/35/13/44/569351344.db2.gz FKCMRVSZBMDCKI-UHFFFAOYSA-N 0 0 415.858 4.943 40 5 HJBBRN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000008926512 569390907 /nfs/dbraw/zinc/39/09/07/569390907.db2.gz RKVKEQCYNPYWTG-UHFFFAOYSA-N 0 0 416.462 4.936 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc4ccccc4cc3OC)nc21 ZINC000010010606 569394887 /nfs/dbraw/zinc/39/48/87/569394887.db2.gz RKUGVEFDPUAERY-UHFFFAOYSA-N 0 0 409.423 4.627 40 5 HJBBRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010542696 569396564 /nfs/dbraw/zinc/39/65/64/569396564.db2.gz GYVDXZUZEBVXHV-UHFFFAOYSA-N 0 0 414.820 4.896 40 5 HJBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000329019854 569423505 /nfs/dbraw/zinc/42/35/05/569423505.db2.gz NYQSJCYCTNGQGC-UHFFFAOYSA-N 0 0 409.877 4.647 40 5 HJBBRN Cc1c(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cccc1[N+](=O)[O-] ZINC000329056127 569424873 /nfs/dbraw/zinc/42/48/73/569424873.db2.gz VRKLRASZWXGEMP-UHFFFAOYSA-N 0 0 403.486 4.692 40 5 HJBBRN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000040870841 571246014 /nfs/dbraw/zinc/24/60/14/571246014.db2.gz GTJXJXASTKIAPP-UHFFFAOYSA-N 0 0 403.847 4.698 40 5 HJBBRN Cc1csc(NC(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)n1 ZINC000035314705 557690276 /nfs/dbraw/zinc/69/02/76/557690276.db2.gz FHNZWEDVLZKHTE-UHFFFAOYSA-N 0 0 423.548 4.888 40 5 HJBBRN CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1[N+](=O)[O-] ZINC000006355658 557699939 /nfs/dbraw/zinc/69/99/39/557699939.db2.gz YTWXYUUEENONCV-UHFFFAOYSA-N 0 0 407.835 4.518 40 5 HJBBRN O=[N+]([O-])c1ccc(CSCCOCCSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006472320 557704289 /nfs/dbraw/zinc/70/42/89/557704289.db2.gz NOOQQYMNWOODGA-UHFFFAOYSA-N 0 0 408.501 4.686 40 5 HJBBRN CC(C)COc1ccccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408598761 559220219 /nfs/dbraw/zinc/22/02/19/559220219.db2.gz AYVBLKRHXUKKAI-ODLFYWEKSA-N 0 0 412.467 4.866 40 5 HJBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000408616938 559221624 /nfs/dbraw/zinc/22/16/24/559221624.db2.gz ATKVLWZZVVTQSV-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN Cc1cc(Cl)ccc1OCc1nnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000408637006 559222593 /nfs/dbraw/zinc/22/25/93/559222593.db2.gz FISNZBYQCCCRSS-UHFFFAOYSA-N 0 0 422.806 4.578 40 5 HJBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)cc1 ZINC000408726452 559225484 /nfs/dbraw/zinc/22/54/84/559225484.db2.gz MHXGKFIVHZOGJR-UHFFFAOYSA-N 0 0 410.948 4.531 40 5 HJBBRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408805430 559227729 /nfs/dbraw/zinc/22/77/29/559227729.db2.gz KAERPFMFFKUMMM-UHFFFAOYSA-N 0 0 410.406 4.757 40 5 HJBBRN CCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000248031768 559259667 /nfs/dbraw/zinc/25/96/67/559259667.db2.gz XZMHOJTTWHSLAW-UHFFFAOYSA-N 0 0 409.393 4.828 40 5 HJBBRN O=C(Nc1cccnc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975097 560660101 /nfs/dbraw/zinc/66/01/01/560660101.db2.gz KBFBESLNNONDIL-UHFFFAOYSA-N 0 0 417.432 4.918 40 5 HJBBRN O=C(Nc1cccnc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408976916 560660621 /nfs/dbraw/zinc/66/06/21/560660621.db2.gz UUWOKRVTOCUGAI-UHFFFAOYSA-N 0 0 402.417 4.527 40 5 HJBBRN Cc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)c1 ZINC000409093611 560674597 /nfs/dbraw/zinc/67/45/97/560674597.db2.gz ASKKIHYADPJPLL-UHFFFAOYSA-N 0 0 403.467 4.838 40 5 HJBBRN COc1cc(CO)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409114325 560680020 /nfs/dbraw/zinc/68/00/20/560680020.db2.gz GYCZNKOEMYFLCW-UHFFFAOYSA-N 0 0 422.153 4.669 40 5 HJBBRN Cc1c2ccccc2oc1-c1nnc2sc(/C=C/c3cccc([N+](=O)[O-])c3)nn21 ZINC000096194384 568703920 /nfs/dbraw/zinc/70/39/20/568703920.db2.gz CWZWJUOBLJYXRB-MDZDMXLPSA-N 0 0 403.423 4.986 40 5 HJBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc([N+](=O)[O-])c3)N21 ZINC000222709359 568769152 /nfs/dbraw/zinc/76/91/52/568769152.db2.gz DPQMJULSCUARIY-IWMITWMQSA-N 0 0 419.510 4.760 40 5 HJBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225564763 568773964 /nfs/dbraw/zinc/77/39/64/568773964.db2.gz GGTZHRGSPHABAD-UHFFFAOYSA-N 0 0 412.486 4.769 40 5 HJBBRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222856425 568821284 /nfs/dbraw/zinc/82/12/84/568821284.db2.gz QTDOQBFYQJRKRX-WOJBJXKFSA-N 0 0 408.483 4.631 40 5 HJBBRN Cc1cccc2cc3c(N)c(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)sc3nc12 ZINC000001223911 568838428 /nfs/dbraw/zinc/83/84/28/568838428.db2.gz HNYXXYMZIIKCLG-UHFFFAOYSA-N 0 0 403.423 4.965 40 5 HJBBRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222946021 568868180 /nfs/dbraw/zinc/86/81/80/568868180.db2.gz JHUCRRAJCDTGSL-RTWAWAEBSA-N 0 0 422.510 4.878 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2[N+](=O)[O-])CC1 ZINC000059294524 568950219 /nfs/dbraw/zinc/95/02/19/568950219.db2.gz LCRDCAHZCBDPLL-UHFFFAOYSA-N 0 0 414.462 4.832 40 5 HJBBRN O=[N+]([O-])c1ccc(N2CCCC2)c([C@@H]2OCCCN2Cc2ccc(Cl)cc2)c1 ZINC000059490029 568956423 /nfs/dbraw/zinc/95/64/23/568956423.db2.gz CGUIKEPCARQAOY-NRFANRHFSA-N 0 0 401.894 4.770 40 5 HJBBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](c3cccs3)C2)cc1 ZINC000016216471 569029916 /nfs/dbraw/zinc/02/99/16/569029916.db2.gz BSIGYHJPXXSUKR-IBGZPJMESA-N 0 0 424.438 4.929 40 5 HJBBRN COc1ccc(OCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2OC)cc1 ZINC000224271410 569056759 /nfs/dbraw/zinc/05/67/59/569056759.db2.gz SHACZBHVEATRON-UHFFFAOYSA-N 0 0 422.437 4.752 40 5 HJBBRN O=[N+]([O-])c1ccc(NCCCNc2ccc([N+](=O)[O-])c3cccnc23)c2ncccc12 ZINC000017091384 569273547 /nfs/dbraw/zinc/27/35/47/569273547.db2.gz YDDVAIFKIUQQCE-UHFFFAOYSA-N 0 0 418.413 4.514 40 5 HJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000017092001 569273553 /nfs/dbraw/zinc/27/35/53/569273553.db2.gz MNHMTKCEGDMYPJ-MDZDMXLPSA-N 0 0 419.828 4.634 40 5 HJBBRN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000017088356 569274064 /nfs/dbraw/zinc/27/40/64/569274064.db2.gz FDRDWSSQPWXZHF-UHFFFAOYSA-N 0 0 409.829 4.682 40 5 HJBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)[C@H]1C ZINC000253577954 569318039 /nfs/dbraw/zinc/31/80/39/569318039.db2.gz XRZJMGCZMKEROC-NXMSCROESA-N 0 0 413.521 4.757 40 5 HJBBRN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Br ZINC000215065547 569327587 /nfs/dbraw/zinc/32/75/87/569327587.db2.gz FKZIIRLRBPLIMU-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)o1 ZINC000006300257 569330529 /nfs/dbraw/zinc/33/05/29/569330529.db2.gz NAFVFXZSFSJCQJ-ONEGZZNKSA-N 0 0 405.332 4.744 40 5 HJBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1C ZINC000033397972 569350504 /nfs/dbraw/zinc/35/05/04/569350504.db2.gz ZHETUGWVQVHZSX-UHFFFAOYSA-N 0 0 413.430 4.738 40 5 HJBBRN COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1[N+](=O)[O-] ZINC000010120054 569395186 /nfs/dbraw/zinc/39/51/86/569395186.db2.gz DTYKXDUWJSVFEZ-UHFFFAOYSA-N 0 0 403.394 4.588 40 5 HJBBRN COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cnc2Nc2nc(C)cc(C)n2)cc1 ZINC000010381850 569395838 /nfs/dbraw/zinc/39/58/38/569395838.db2.gz BBQOOPKBZAURPW-UHFFFAOYSA-N 0 0 416.441 4.607 40 5 HJBBRN O=C(Nc1nnc(SCc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000069258875 569401816 /nfs/dbraw/zinc/40/18/16/569401816.db2.gz WXLCBWCIWQIPSR-UHFFFAOYSA-N 0 0 406.876 4.644 40 5 HJBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 ZINC000013389631 569413224 /nfs/dbraw/zinc/41/32/24/569413224.db2.gz PVDVWXUACDYFJW-UHFFFAOYSA-N 0 0 421.254 4.791 40 5 HJBBRN O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000016450627 571306688 /nfs/dbraw/zinc/30/66/88/571306688.db2.gz HXHGYWXQLWQPBY-UHFFFAOYSA-N 0 0 424.463 4.591 40 5 HJBBRN O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000020533917 526384751 /nfs/dbraw/zinc/38/47/51/526384751.db2.gz JBMUNSQXKDGIGW-UHFFFAOYSA-N 0 0 418.405 4.956 40 5 HJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000020141074 527135649 /nfs/dbraw/zinc/13/56/49/527135649.db2.gz VBBPGNPTLFKLDL-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398835 527463015 /nfs/dbraw/zinc/46/30/15/527463015.db2.gz CGLBIGZDGMIQEJ-UHFFFAOYSA-N 0 0 413.521 4.849 40 5 HJBBRN CCOC(=O)N1CCc2cc(OC)c(OC)c3c4cc(OC)c(OC)cc4cc1c23 ZINC000001727151 535782494 /nfs/dbraw/zinc/78/24/94/535782494.db2.gz UBNQMQAKEHACQS-UHFFFAOYSA-N 0 0 411.454 4.546 40 5 HJBBRN C[C@@H]1CCCN(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)C1 ZINC000035313199 557688900 /nfs/dbraw/zinc/68/89/00/557688900.db2.gz GIGMIRPWSWBFCJ-CYBMUJFWSA-N 0 0 408.552 4.743 40 5 HJBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014376698 559165029 /nfs/dbraw/zinc/16/50/29/559165029.db2.gz LTCUXLKZKZTMQE-UHFFFAOYSA-N 0 0 404.791 4.532 40 5 HJBBRN COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Br ZINC000072229478 559169966 /nfs/dbraw/zinc/16/99/66/559169966.db2.gz QIEWKDLBCGFBBE-UHFFFAOYSA-N 0 0 420.046 4.925 40 5 HJBBRN C[C@@H]1CCCCN1c1cc(NC(=O)COc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229608 559170118 /nfs/dbraw/zinc/17/01/18/559170118.db2.gz SDQWKEBABFBNNJ-CQSZACIVSA-N 0 0 403.866 4.645 40 5 HJBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1NCc1ccccc1 ZINC000100499684 559209927 /nfs/dbraw/zinc/20/99/27/559209927.db2.gz LJKSQTVMWWREBT-UHFFFAOYSA-N 0 0 423.385 4.635 40 5 HJBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl ZINC000408565640 559218196 /nfs/dbraw/zinc/21/81/96/559218196.db2.gz CPRAGSZAIUNDKJ-GOSISDBHSA-N 0 0 418.906 4.656 40 5 HJBBRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000408583697 559220075 /nfs/dbraw/zinc/22/00/75/559220075.db2.gz WRZQEJLKTXUJSX-UHFFFAOYSA-N 0 0 408.483 4.708 40 5 HJBBRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 ZINC000408603714 559220823 /nfs/dbraw/zinc/22/08/23/559220823.db2.gz FQOPDWFWTOCCSW-UHFFFAOYSA-N 0 0 409.467 4.832 40 5 HJBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408613634 559221536 /nfs/dbraw/zinc/22/15/36/559221536.db2.gz ZAUJQTXCWIIFLQ-UHFFFAOYSA-N 0 0 421.453 4.541 40 5 HJBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)c1C ZINC000408693613 559224497 /nfs/dbraw/zinc/22/44/97/559224497.db2.gz AZXVKCRDKXINSL-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN Cc1c(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cccc1[N+](=O)[O-] ZINC000408714141 559224685 /nfs/dbraw/zinc/22/46/85/559224685.db2.gz JPZBEUBCHCSEOE-UHFFFAOYSA-N 0 0 408.458 4.523 40 5 HJBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000409176093 559243558 /nfs/dbraw/zinc/24/35/58/559243558.db2.gz HFSUEEOKWGZVSB-UHFFFAOYSA-N 0 0 416.389 4.998 40 5 HJBBRN O=C(Oc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409262830 559247027 /nfs/dbraw/zinc/24/70/27/559247027.db2.gz JDAGJZZLSWJHDA-UHFFFAOYSA-N 0 0 421.390 4.999 40 5 HJBBRN O=[N+]([O-])c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000005513800 560602517 /nfs/dbraw/zinc/60/25/17/560602517.db2.gz MFXAUNGWPDPAMP-OAQYLSRUSA-N 0 0 406.373 4.998 40 5 HJBBRN COc1ccc2c(c1)CCc1sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc1-2 ZINC000409051434 560670142 /nfs/dbraw/zinc/67/01/42/560670142.db2.gz CNQKVHBEWCPRJI-UHFFFAOYSA-N 0 0 415.858 4.731 40 5 HJBBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2OCC[C@@H]21 ZINC000409189983 560691114 /nfs/dbraw/zinc/69/11/14/560691114.db2.gz PAKOWZLXJNKFRP-NXOUGTEYSA-N 0 0 405.248 4.610 40 5 HJBBRN Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(C)cc1 ZINC000409206964 560691226 /nfs/dbraw/zinc/69/12/26/560691226.db2.gz NWPMRYGRAKMUJT-VZCXRCSSSA-N 0 0 401.875 4.673 40 5 HJBBRN CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000024522564 560843475 /nfs/dbraw/zinc/84/34/75/560843475.db2.gz IZUCGDDHQMDCNZ-LEWJYISDSA-N 0 0 410.470 4.646 40 5 HJBBRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000014792861 560850545 /nfs/dbraw/zinc/85/05/45/560850545.db2.gz BNABTCSJBXLDPG-AWEZNQCLSA-N 0 0 423.856 4.992 40 5 HJBBRN CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1C1CCCCC1 ZINC000000793612 568478355 /nfs/dbraw/zinc/47/83/55/568478355.db2.gz GHXNGRRFVNJMAC-AWEZNQCLSA-N 0 0 417.535 4.682 40 5 HJBBRN Cc1cc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)ccc1[N+](=O)[O-] ZINC000000809159 568483899 /nfs/dbraw/zinc/48/38/99/568483899.db2.gz DNMQBFDQNLQQHK-UHFFFAOYSA-N 0 0 400.390 4.929 40 5 HJBBRN CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000020142462 568590261 /nfs/dbraw/zinc/59/02/61/568590261.db2.gz JJFZGPDPCUPOCQ-UHFFFAOYSA-N 0 0 416.817 4.652 40 5 HJBBRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000021577887 568719018 /nfs/dbraw/zinc/71/90/18/568719018.db2.gz KOSLGQWNZGMITM-UHFFFAOYSA-N 0 0 412.465 4.577 40 5 HJBBRN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCCC2 ZINC000001102613 568770075 /nfs/dbraw/zinc/77/00/75/568770075.db2.gz ALVNBXLDTISVCJ-UHFFFAOYSA-N 0 0 402.472 4.663 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225580569 568774637 /nfs/dbraw/zinc/77/46/37/568774637.db2.gz BLWQQIIWTUIRIJ-UHFFFAOYSA-N 0 0 405.857 4.546 40 5 HJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222902022 568823982 /nfs/dbraw/zinc/82/39/82/568823982.db2.gz CKMYIQLSOQZRNP-UXHICEINSA-N 0 0 408.483 4.632 40 5 HJBBRN O=c1c2ccccc2c2nc3c4ccccc4c(=O)c3c(-c3ccccc3[N+](=O)[O-])c12 ZINC000003154748 568858651 /nfs/dbraw/zinc/85/86/51/568858651.db2.gz UIFVMAMIUCGLDV-UHFFFAOYSA-N 0 0 404.381 4.866 40 5 HJBBRN O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000035146984 568999383 /nfs/dbraw/zinc/99/93/83/568999383.db2.gz YLTMABZCPHTNQD-DHDCSXOGSA-N 0 0 419.256 4.594 40 5 HJBBRN O=C(c1ccccc1)[C@@H]([C@@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 ZINC000001843049 569056471 /nfs/dbraw/zinc/05/64/71/569056471.db2.gz KCEDGJCNSXBJOR-DNQXCXABSA-N 0 0 421.541 4.859 40 5 HJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1[N+](=O)[O-] ZINC000036077482 569086321 /nfs/dbraw/zinc/08/63/21/569086321.db2.gz XLUWPBDJPCVERE-TVFCKZIOSA-N 0 0 424.284 4.696 40 5 HJBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COCc1ccccc1 ZINC000224750174 569286975 /nfs/dbraw/zinc/28/69/75/569286975.db2.gz MEFURSNOHQKCES-UHFFFAOYSA-N 0 0 406.438 4.963 40 5 HJBBRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc21 ZINC000007363426 569337449 /nfs/dbraw/zinc/33/74/49/569337449.db2.gz GTVSVWUFDIJMOU-UHFFFAOYSA-N 0 0 409.467 4.832 40 5 HJBBRN Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000014792880 569344894 /nfs/dbraw/zinc/34/48/94/569344894.db2.gz MGUVFFRWDOEWND-MRXNPFEDSA-N 0 0 403.438 4.647 40 5 HJBBRN O=C(COc1cccc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014376462 569344916 /nfs/dbraw/zinc/34/49/16/569344916.db2.gz RJOWOVKHKWZKTG-UHFFFAOYSA-N 0 0 405.435 4.889 40 5 HJBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000214205499 569366222 /nfs/dbraw/zinc/36/62/22/569366222.db2.gz FVLMFBWCMYXMOU-DEDYPNTBSA-N 0 0 419.462 4.681 40 5 HJBBRN CCN(c1ccccc1)[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 ZINC000008652979 571098149 /nfs/dbraw/zinc/09/81/49/571098149.db2.gz GCFVHYZHIZAETE-GOTSBHOMSA-N 0 0 417.465 4.586 40 5 HJBBRN O=c1oc2cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc2c2ccccc12 ZINC000001717021 557282522 /nfs/dbraw/zinc/28/25/22/557282522.db2.gz CVQCBBUWOUXMPX-UHFFFAOYSA-N 0 0 417.420 4.764 40 5 HJBBRN C[C@@H]1C[C@H](C)CN(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)C1 ZINC000035313210 557688902 /nfs/dbraw/zinc/68/89/02/557688902.db2.gz QJZUABXQJNNFLX-OKILXGFUSA-N 0 0 422.579 4.989 40 5 HJBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1 ZINC000408695282 557709937 /nfs/dbraw/zinc/70/99/37/557709937.db2.gz PIXPSPMZIMJYAW-UHFFFAOYSA-N 0 0 417.400 4.542 40 5 HJBBRN O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000072229340 559170182 /nfs/dbraw/zinc/17/01/82/559170182.db2.gz MTDFLPVLESPQSX-UHFFFAOYSA-N 0 0 424.682 4.863 40 5 HJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1[N+](=O)[O-] ZINC000408543340 559217188 /nfs/dbraw/zinc/21/71/88/559217188.db2.gz OCFUKNXKOBZPNJ-YRNVUSSQSA-N 0 0 407.426 4.696 40 5 HJBBRN O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(Cl)cc1 ZINC000408555649 559218094 /nfs/dbraw/zinc/21/80/94/559218094.db2.gz GXBOQTFKQKZEPX-UHFFFAOYSA-N 0 0 411.845 4.878 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408674822 559223933 /nfs/dbraw/zinc/22/39/33/559223933.db2.gz CVYRTUHUANDZMG-UHFFFAOYSA-N 0 0 417.396 4.783 40 5 HJBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(F)cc2)cc1 ZINC000408694340 559224380 /nfs/dbraw/zinc/22/43/80/559224380.db2.gz JFEROXQYHBRKCT-UHFFFAOYSA-N 0 0 417.400 4.542 40 5 HJBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1C ZINC000408696228 559224431 /nfs/dbraw/zinc/22/44/31/559224431.db2.gz YEHIJGTUYNCFAP-UHFFFAOYSA-N 0 0 413.437 4.712 40 5 HJBBRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408675258 559224448 /nfs/dbraw/zinc/22/44/48/559224448.db2.gz GXGHNSGLYCIYNM-UHFFFAOYSA-N 0 0 413.433 4.953 40 5 HJBBRN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1C(C)(C)C ZINC000005480842 560595638 /nfs/dbraw/zinc/59/56/38/560595638.db2.gz LQYVVBNBZGUZJZ-LJQANCHMSA-N 0 0 400.866 4.770 40 5 HJBBRN CNc1nc(/C=C/c2cccc([N+](=O)[O-])c2)cc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000005510569 560602439 /nfs/dbraw/zinc/60/24/39/560602439.db2.gz OGDUPMWSXLHCGN-GFULKKFKSA-N 0 0 403.398 4.676 40 5 HJBBRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000004521958 560608282 /nfs/dbraw/zinc/60/82/82/560608282.db2.gz CGLSJWZFDJRUHS-UHFFFAOYSA-N 0 0 412.511 4.863 40 5 HJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc3ccc(C)cc3cc2c1N ZINC000004993999 560619516 /nfs/dbraw/zinc/61/95/16/560619516.db2.gz YBZQGTPYOJOHRR-UHFFFAOYSA-N 0 0 408.439 4.509 40 5 HJBBRN CC1CCN(C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)CC1 ZINC000408974806 560660085 /nfs/dbraw/zinc/66/00/85/560660085.db2.gz FAMKFMABGNBCKC-UHFFFAOYSA-N 0 0 407.477 4.752 40 5 HJBBRN COc1ccc(NC(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)cc1 ZINC000408995517 560662602 /nfs/dbraw/zinc/66/26/02/560662602.db2.gz ASSHUZFBOSNCDI-UHFFFAOYSA-N 0 0 420.494 4.618 40 5 HJBBRN CCN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O ZINC000409075523 560672944 /nfs/dbraw/zinc/67/29/44/560672944.db2.gz WPOLQSSKLYGPNO-YBFXNURJSA-N 0 0 407.451 4.654 40 5 HJBBRN COc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] ZINC000409180667 560688401 /nfs/dbraw/zinc/68/84/01/560688401.db2.gz YZISDLSSQKIBNO-UHFFFAOYSA-N 0 0 424.365 4.661 40 5 HJBBRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000014831601 560850451 /nfs/dbraw/zinc/85/04/51/560850451.db2.gz GXCPMYFRLSOGPJ-UHFFFAOYSA-N 0 0 422.304 4.608 40 5 HJBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000106708698 560893251 /nfs/dbraw/zinc/89/32/51/560893251.db2.gz PTCLHLNJVKKTHF-MOSHPQCFSA-N 0 0 419.462 4.930 40 5 HJBBRN CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)c[nH]c21 ZINC000106729446 560893461 /nfs/dbraw/zinc/89/34/61/560893461.db2.gz BQPRFIVBAIQITE-ZDLGFXPLSA-N 0 0 407.451 4.875 40 5 HJBBRN Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000057317053 568490963 /nfs/dbraw/zinc/49/09/63/568490963.db2.gz XBRICZPEASRXMO-UHFFFAOYSA-N 0 0 415.243 4.856 40 5 HJBBRN Cc1cc(C)cc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000224055613 568568068 /nfs/dbraw/zinc/56/80/68/568568068.db2.gz GZLNVJXKUVVZPW-JJIBRWJFSA-N 0 0 416.477 4.947 40 5 HJBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020140525 568590025 /nfs/dbraw/zinc/59/00/25/568590025.db2.gz VLSGJQDENYIKKI-UHFFFAOYSA-N 0 0 404.378 4.859 40 5 HJBBRN Cc1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(C)cc1 ZINC000000887843 568736785 /nfs/dbraw/zinc/73/67/85/568736785.db2.gz MWCPVMAKBHHZIK-UHFFFAOYSA-N 0 0 421.434 4.694 40 5 HJBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc([N+](=O)[O-])cc3)N21 ZINC000222709441 568769079 /nfs/dbraw/zinc/76/90/79/568769079.db2.gz ZQBMZWGUQYZSOC-GQWLDOHISA-N 0 0 419.510 4.760 40 5 HJBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc(C)c1OC(C)C ZINC000225565154 568774019 /nfs/dbraw/zinc/77/40/19/568774019.db2.gz AJMJJAYYUCRWTG-UHFFFAOYSA-N 0 0 412.486 4.686 40 5 HJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222892513 568823207 /nfs/dbraw/zinc/82/32/07/568823207.db2.gz XVDZCKWRMIQGHU-UXHICEINSA-N 0 0 408.483 4.632 40 5 HJBBRN O=C(NCc1ccc(-n2ccnc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000216327365 568823822 /nfs/dbraw/zinc/82/38/22/568823822.db2.gz INCYCDIFGHTXNV-LFVJCYFKSA-N 0 0 424.460 4.638 40 5 HJBBRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029462450 568825630 /nfs/dbraw/zinc/82/56/30/568825630.db2.gz NRXOZMCDFWJSEO-UHFFFAOYSA-N 0 0 401.850 4.517 40 5 HJBBRN COc1ccc(-c2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)o2)c([N+](=O)[O-])c1 ZINC000015277446 568869295 /nfs/dbraw/zinc/86/92/95/568869295.db2.gz LCEWONTUGXDXJN-LICLKQGHSA-N 0 0 424.796 4.861 40 5 HJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 ZINC000059500394 568956765 /nfs/dbraw/zinc/95/67/65/568956765.db2.gz GUZQUGHRGNYXBL-QQNJPBSNSA-N 0 0 424.456 4.556 40 5 HJBBRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000016347823 569031827 /nfs/dbraw/zinc/03/18/27/569031827.db2.gz BENBTUVUQJPYAG-UHFFFAOYSA-N 0 0 421.906 4.687 40 5 HJBBRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006238080 569033752 /nfs/dbraw/zinc/03/37/52/569033752.db2.gz NHDXIWCLDJZNMC-UHFFFAOYSA-N 0 0 407.813 4.986 40 5 HJBBRN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1Br ZINC000016385734 569040169 /nfs/dbraw/zinc/04/01/69/569040169.db2.gz AACBEYOHBLMXEE-UHFFFAOYSA-N 0 0 412.652 4.873 40 5 HJBBRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000017094153 569273604 /nfs/dbraw/zinc/27/36/04/569273604.db2.gz FPDQVYAUQNAVGE-YRNVUSSQSA-N 0 0 424.888 4.841 40 5 HJBBRN O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000224879004 569293451 /nfs/dbraw/zinc/29/34/51/569293451.db2.gz ORXAUTDTVNWFKV-UHFFFAOYSA-N 0 0 416.231 4.584 40 5 HJBBRN COc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033546292 569350562 /nfs/dbraw/zinc/35/05/62/569350562.db2.gz LTPYCFZMXBKHHC-UHFFFAOYSA-N 0 0 420.918 4.997 40 5 HJBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 ZINC000033608297 569350712 /nfs/dbraw/zinc/35/07/12/569350712.db2.gz KBLXGZQENRWVDI-UHFFFAOYSA-N 0 0 419.304 4.928 40 5 HJBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3C)o2)cc1C ZINC000033859502 569351475 /nfs/dbraw/zinc/35/14/75/569351475.db2.gz KMMUEJPYRBPJGL-UHFFFAOYSA-N 0 0 409.467 4.907 40 5 HJBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1OC ZINC000008903867 569390805 /nfs/dbraw/zinc/39/08/05/569390805.db2.gz CMADBEWSWLOFOY-UHFFFAOYSA-N 0 0 419.393 4.673 40 5 HJBBRN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] ZINC000009056484 569391278 /nfs/dbraw/zinc/39/12/78/569391278.db2.gz ZJXJTNVHEWXPQB-NSHDSACASA-N 0 0 418.862 4.726 40 5 HJBBRN CC[C@H](C)Oc1cccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)c1 ZINC000010010643 569394946 /nfs/dbraw/zinc/39/49/46/569394946.db2.gz CDFOBQQCHJRNPS-NSHDSACASA-N 0 0 401.444 4.643 40 5 HJBBRN CCCCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 ZINC000032118587 521288089 /nfs/dbraw/zinc/28/80/89/521288089.db2.gz BCCXQPQVJIMPPN-UHFFFAOYSA-N 0 0 400.416 4.708 40 5 HJBBRN COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000044880570 525175351 /nfs/dbraw/zinc/17/53/51/525175351.db2.gz CDQZOUVAPWTJMF-HXUWFJFHSA-N 0 0 402.516 4.740 40 5 HJBBRN C[C@H]1CCCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398834 526262979 /nfs/dbraw/zinc/26/29/79/526262979.db2.gz GYTRAJVVXCVVPT-MHECFPHRSA-N 0 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COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl ZINC000408565642 559218474 /nfs/dbraw/zinc/21/84/74/559218474.db2.gz CPRAGSZAIUNDKJ-SFHVURJKSA-N 0 0 418.906 4.656 40 5 HJBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)c(Br)cc1OC ZINC000408576532 559218780 /nfs/dbraw/zinc/21/87/80/559218780.db2.gz XOWGANMFIYFDEX-OAHLLOKOSA-N 0 0 419.275 4.746 40 5 HJBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000408576525 559219363 /nfs/dbraw/zinc/21/93/63/559219363.db2.gz XOQDROHNUJKZBN-HXUWFJFHSA-N 0 0 412.515 4.818 40 5 HJBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000408623406 559221832 /nfs/dbraw/zinc/22/18/32/559221832.db2.gz TYDGDRNSVLWCJY-UHFFFAOYSA-N 0 0 401.216 4.771 40 5 HJBBRN COc1ccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408717897 559225078 /nfs/dbraw/zinc/22/50/78/559225078.db2.gz PQYCKNNAXDUQDO-UHFFFAOYSA-N 0 0 416.377 4.503 40 5 HJBBRN CC(C)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408749580 559226466 /nfs/dbraw/zinc/22/64/66/559226466.db2.gz HQRKWOQYEUTXOT-UHFFFAOYSA-N 0 0 413.480 4.753 40 5 HJBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)o1 ZINC000226769041 559273979 /nfs/dbraw/zinc/27/39/79/559273979.db2.gz YUMASIOGSXZORS-UHFFFAOYSA-N 0 0 404.378 4.628 40 5 HJBBRN CCOc1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000005393485 560578730 /nfs/dbraw/zinc/57/87/30/560578730.db2.gz LQIRRGYIPFJIBJ-UHFFFAOYSA-N 0 0 408.462 4.645 40 5 HJBBRN CC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000004854699 560611818 /nfs/dbraw/zinc/61/18/18/560611818.db2.gz OWKNOLCLGJSRME-UHFFFAOYSA-N 0 0 405.414 4.586 40 5 HJBBRN COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 ZINC000408841841 560646108 /nfs/dbraw/zinc/64/61/08/560646108.db2.gz HYOBNIFXRIPXAI-RIYZIHGNSA-N 0 0 414.826 4.816 40 5 HJBBRN CCn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000408917461 560653503 /nfs/dbraw/zinc/65/35/03/560653503.db2.gz UYDBLACBYIXQNR-YBFXNURJSA-N 0 0 407.451 4.806 40 5 HJBBRN O=C(NCCSCc1ccco1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408921785 560654428 /nfs/dbraw/zinc/65/44/28/560654428.db2.gz XHLBTINJVZRXAL-RCCKNPSSSA-N 0 0 408.479 4.778 40 5 HJBBRN O=C(NCc1ccccc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408974181 560659887 /nfs/dbraw/zinc/65/98/87/560659887.db2.gz DCOALHARPRAUAX-UHFFFAOYSA-N 0 0 415.456 4.809 40 5 HJBBRN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 ZINC000409055180 560671416 /nfs/dbraw/zinc/67/14/16/560671416.db2.gz WYEHWUQUNVFOEM-UHFFFAOYSA-N 0 0 415.858 4.731 40 5 HJBBRN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409154126 560685276 /nfs/dbraw/zinc/68/52/76/560685276.db2.gz MSRTWCWGDLAKSN-OQLLNIDSSA-N 0 0 419.256 4.594 40 5 HJBBRN Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(C)cc1 ZINC000409197605 560690737 /nfs/dbraw/zinc/69/07/37/560690737.db2.gz KBUKQUANMCAGTQ-VZCXRCSSSA-N 0 0 401.875 4.673 40 5 HJBBRN O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409264838 560703985 /nfs/dbraw/zinc/70/39/85/560703985.db2.gz GGECCGXCBIESLQ-UHFFFAOYSA-N 0 0 421.390 4.999 40 5 HJBBRN Cc1cc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)ccc1[N+](=O)[O-] ZINC000057316995 568490921 /nfs/dbraw/zinc/49/09/21/568490921.db2.gz KLQVSPBBMQVCDX-UHFFFAOYSA-N 0 0 415.243 4.856 40 5 HJBBRN O=C(Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000020457517 568608656 /nfs/dbraw/zinc/60/86/56/568608656.db2.gz HQTMENJIBBJDQX-UHFFFAOYSA-N 0 0 424.482 4.519 40 5 HJBBRN CCOc1cccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000020482741 568612385 /nfs/dbraw/zinc/61/23/85/568612385.db2.gz BXQJIRUZOZFVMW-XQNSMLJCSA-N 0 0 402.450 4.851 40 5 HJBBRN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1nc2ccccc2s1 ZINC000020534043 568625834 /nfs/dbraw/zinc/62/58/34/568625834.db2.gz XIWQCJLVPFVJOG-UHFFFAOYSA-N 0 0 417.402 4.797 40 5 HJBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000020610555 568636181 /nfs/dbraw/zinc/63/61/81/568636181.db2.gz JACRMJKGOHLQGX-UHFFFAOYSA-N 0 0 401.426 4.704 40 5 HJBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610543 568636525 /nfs/dbraw/zinc/63/65/25/568636525.db2.gz BPHVDYZLLLWZQQ-UHFFFAOYSA-N 0 0 401.426 4.704 40 5 HJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1sc2ccccc2c1Cl ZINC000020611783 568636566 /nfs/dbraw/zinc/63/65/66/568636566.db2.gz JKOWTUYHLDKVRW-UHFFFAOYSA-N 0 0 417.874 4.552 40 5 HJBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000021580481 568719819 /nfs/dbraw/zinc/71/98/19/568719819.db2.gz RBVKWWGAHACXNP-UHFFFAOYSA-N 0 0 402.410 4.707 40 5 HJBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000021580477 568719912 /nfs/dbraw/zinc/71/99/12/568719912.db2.gz KXVZZHHXIMWFHT-UHFFFAOYSA-N 0 0 402.410 4.707 40 5 HJBBRN Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000000930731 568750899 /nfs/dbraw/zinc/75/08/99/568750899.db2.gz LMQCXHXXFWGMJH-UHFFFAOYSA-N 0 0 405.841 4.982 40 5 HJBBRN CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000001053201 568765052 /nfs/dbraw/zinc/76/50/52/568765052.db2.gz ZTMGQMHZNCOGSM-WYMLVPIESA-N 0 0 405.410 4.855 40 5 HJBBRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222846930 568794894 /nfs/dbraw/zinc/79/48/94/568794894.db2.gz KNWLHMJNIGOBDG-PMACEKPBSA-N 0 0 408.483 4.631 40 5 HJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000057313018 568826396 /nfs/dbraw/zinc/82/63/96/568826396.db2.gz ZGBCXKKIOZYGJY-FMIVXFBMSA-N 0 0 407.451 4.690 40 5 HJBBRN O=C1c2ccc([N+](=O)[O-])c3c2c(ccc3[N+](=O)[O-])C(=O)N1c1ccc2ccccc2c1 ZINC000003101102 568855402 /nfs/dbraw/zinc/85/54/02/568855402.db2.gz RZYMZBCXNKOQBT-UHFFFAOYSA-N 0 0 413.345 4.610 40 5 HJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000218049748 568924829 /nfs/dbraw/zinc/92/48/29/568924829.db2.gz GVARBBKKCANLEV-UHFFFAOYSA-N 0 0 406.463 4.698 40 5 HJBBRN O=[N+]([O-])C[C@H](Nc1ccccc1)c1cccc([C@H](C[N+](=O)[O-])Nc2ccccc2)c1 ZINC000003845196 568927439 /nfs/dbraw/zinc/92/74/39/568927439.db2.gz MKKZTEXEWNZAPK-VXKWHMMOSA-N 0 0 406.442 4.546 40 5 HJBBRN CCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000059489745 568956387 /nfs/dbraw/zinc/95/63/87/568956387.db2.gz JXDZKBXVXGHMRA-UHFFFAOYSA-N 0 0 417.399 4.752 40 5 HJBBRN Cc1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000017092709 569273564 /nfs/dbraw/zinc/27/35/64/569273564.db2.gz LMUKTTGHFZHDDJ-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017087997 569274360 /nfs/dbraw/zinc/27/43/60/569274360.db2.gz KGHNKRMTNZUYBD-QGZVFWFLSA-N 0 0 408.502 4.826 40 5 HJBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007641824 569298148 /nfs/dbraw/zinc/29/81/48/569298148.db2.gz AQPFBLZUHLCFBZ-UHFFFAOYSA-N 0 0 404.791 4.532 40 5 HJBBRN O=C(Cc1ccc(Cl)cc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006595584 569333701 /nfs/dbraw/zinc/33/37/01/569333701.db2.gz FETRVDFAXTYVDM-JOCHJYFZSA-N 0 0 409.825 4.958 40 5 HJBBRN O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCC3)cc2Br)c1 ZINC000107709660 569352886 /nfs/dbraw/zinc/35/28/86/569352886.db2.gz KQRAYIXWJQRQJW-UHFFFAOYSA-N 0 0 421.316 4.708 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038853885 571087964 /nfs/dbraw/zinc/08/79/64/571087964.db2.gz UGKBYCWBLQZYGA-AWEZNQCLSA-N 0 0 408.285 4.752 40 5 HJBBRN Cc1cccc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)c1 ZINC000040398728 524144370 /nfs/dbraw/zinc/14/43/70/524144370.db2.gz ZBRSHFMJXLMAHU-UHFFFAOYSA-N 0 0 407.473 4.615 40 5 HJBBRN CCCc1nnc(-n2c(=O)c3ccc4oc5ccccc5c5ccc(c2=O)c3c45)s1 ZINC000005432457 557653395 /nfs/dbraw/zinc/65/33/95/557653395.db2.gz PYKGWOJRUIOKHV-UHFFFAOYSA-N 0 0 413.458 4.645 40 5 HJBBRN CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004849264 559170285 /nfs/dbraw/zinc/17/02/85/559170285.db2.gz HRHCGXSTMOZLLF-UHFFFAOYSA-N 0 0 411.483 4.753 40 5 HJBBRN CCn1c2c(s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCc1ccccc1-2 ZINC000408561981 559218648 /nfs/dbraw/zinc/21/86/48/559218648.db2.gz MJFSKUHIOYVQNU-XDOYNYLZSA-N 0 0 413.886 4.638 40 5 HJBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000408574477 559219361 /nfs/dbraw/zinc/21/93/61/559219361.db2.gz UXFYZJBXGJXNII-SFHVURJKSA-N 0 0 402.907 4.956 40 5 HJBBRN CCOc1c(Br)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OC ZINC000408571523 559219395 /nfs/dbraw/zinc/21/93/95/559219395.db2.gz OVAHWZDRFFMWHI-HNNXBMFYSA-N 0 0 419.275 4.746 40 5 HJBBRN COc1cccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000408717899 559225091 /nfs/dbraw/zinc/22/50/91/559225091.db2.gz YCGVTGYFLOMUPY-UHFFFAOYSA-N 0 0 416.377 4.503 40 5 HJBBRN CCCc1ccc(-c2c/c(=N\S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ss2)cc1 ZINC000408730588 559225476 /nfs/dbraw/zinc/22/54/76/559225476.db2.gz IIFOTSZJVQLGQG-VHEBQXMUSA-N 0 0 420.537 4.627 40 5 HJBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409072550 559239753 /nfs/dbraw/zinc/23/97/53/559239753.db2.gz CQCVUGOWMQWOCV-WQRHYEAKSA-N 0 0 423.812 4.914 40 5 HJBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409090547 559240122 /nfs/dbraw/zinc/24/01/22/559240122.db2.gz NVBTXYNKKYYSCG-AQTBWJFISA-N 0 0 411.483 4.587 40 5 HJBBRN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000409178067 559243419 /nfs/dbraw/zinc/24/34/19/559243419.db2.gz INFMMRHDQWBQNX-OAQYLSRUSA-N 0 0 420.377 4.592 40 5 HJBBRN O=C(Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c21)c1ccccc1[N+](=O)[O-] ZINC000408975052 560660095 /nfs/dbraw/zinc/66/00/95/560660095.db2.gz JBNWGZLUJUPMMA-UHFFFAOYSA-N 0 0 416.349 4.903 40 5 HJBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccccc1 ZINC000409205131 560694171 /nfs/dbraw/zinc/69/41/71/560694171.db2.gz MIQLCPLHSOQNEJ-VZCXRCSSSA-N 0 0 401.875 4.619 40 5 HJBBRN O=C(N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000000836682 568501702 /nfs/dbraw/zinc/50/17/02/568501702.db2.gz UTILHPSTCURICO-CQSZACIVSA-N 0 0 424.067 4.753 40 5 HJBBRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-] ZINC000020142466 568590152 /nfs/dbraw/zinc/59/01/52/568590152.db2.gz VFSVARDGGRNGOH-UHFFFAOYSA-N 0 0 416.817 4.652 40 5 HJBBRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020142760 568590329 /nfs/dbraw/zinc/59/03/29/568590329.db2.gz FKECOSFBVAPYNG-UHFFFAOYSA-N 0 0 421.453 4.508 40 5 HJBBRN CCn1c2ccccc2c2cc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 ZINC000020455346 568608797 /nfs/dbraw/zinc/60/87/97/568608797.db2.gz PNYJCXAEPIPLOU-UHFFFAOYSA-N 0 0 409.467 4.665 40 5 HJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222902160 568823909 /nfs/dbraw/zinc/82/39/09/568823909.db2.gz CKMYIQLSOQZRNP-WOJBJXKFSA-N 0 0 408.483 4.632 40 5 HJBBRN O=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001410693 568929427 /nfs/dbraw/zinc/92/94/27/568929427.db2.gz JYCDCCLVDOMNIF-UHFFFAOYSA-N 0 0 415.037 4.511 40 5 HJBBRN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000008435618 569002946 /nfs/dbraw/zinc/00/29/46/569002946.db2.gz OBMGTOORMXYIJU-UHFFFAOYSA-N 0 0 416.462 4.936 40 5 HJBBRN CC1CCN(c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000015993763 569025298 /nfs/dbraw/zinc/02/52/98/569025298.db2.gz DWMDGIADZYWKBR-UHFFFAOYSA-N 0 0 405.401 4.685 40 5 HJBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000006225549 569033497 /nfs/dbraw/zinc/03/34/97/569033497.db2.gz COPRMKQSHRSSRO-UHFFFAOYSA-N 0 0 415.453 4.760 40 5 HJBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@H]1[N+](=O)[O-] ZINC000036082455 569087338 /nfs/dbraw/zinc/08/73/38/569087338.db2.gz UPLODQWJFKBBKR-TVFCKZIOSA-N 0 0 424.284 4.696 40 5 HJBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000017091238 569273732 /nfs/dbraw/zinc/27/37/32/569273732.db2.gz LAKVIVUOFJOHRY-UHFFFAOYSA-N 0 0 417.796 4.702 40 5 HJBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Br)ccc1Cl ZINC000017089371 569273780 /nfs/dbraw/zinc/27/37/80/569273780.db2.gz IETZQZDYPIAEJA-UHFFFAOYSA-N 0 0 412.652 4.873 40 5 HJBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017088425 569273847 /nfs/dbraw/zinc/27/38/47/569273847.db2.gz ZIHBVXGFCYNWBL-UHFFFAOYSA-N 0 0 410.367 4.625 40 5 HJBBRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2s1 ZINC000017091677 569274269 /nfs/dbraw/zinc/27/42/69/569274269.db2.gz DNSYFUCDSUQVGD-UHFFFAOYSA-N 0 0 418.862 4.849 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017092702 569274546 /nfs/dbraw/zinc/27/45/46/569274546.db2.gz BMQZHIIUGVXZPR-UHFFFAOYSA-N 0 0 421.478 4.609 40 5 HJBBRN C[C@H](NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000014792829 569344901 /nfs/dbraw/zinc/34/49/01/569344901.db2.gz XLUJIQWWASRQOH-AWEZNQCLSA-N 0 0 423.856 4.992 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038853932 571087879 /nfs/dbraw/zinc/08/78/79/571087879.db2.gz SHIUMNNRWURZPN-UHFFFAOYSA-N 0 0 408.285 4.752 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038853894 571087971 /nfs/dbraw/zinc/08/79/71/571087971.db2.gz RYATWDPOOZVWII-CYBMUJFWSA-N 0 0 408.285 4.752 40 5 HJBBRN Cc1cc2sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)nc2cc1Cl ZINC000016284319 571307952 /nfs/dbraw/zinc/30/79/52/571307952.db2.gz OOWGOQBFUBSHBA-UHFFFAOYSA-N 0 0 420.903 4.602 40 5 HJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000040943807 526078699 /nfs/dbraw/zinc/07/86/99/526078699.db2.gz BNQVHTMTFZRYEY-UHFFFAOYSA-N 0 0 407.264 4.807 40 5 HJBBRN Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)c1 ZINC000040398729 526257216 /nfs/dbraw/zinc/25/72/16/526257216.db2.gz VYROBIOVBHPWBD-UHFFFAOYSA-N 0 0 407.473 4.615 40 5 HJBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCC ZINC000408624229 557552583 /nfs/dbraw/zinc/55/25/83/557552583.db2.gz VBRUJYMCMLKIRP-UHFFFAOYSA-N 0 0 423.263 4.715 40 5 HJBBRN COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Br ZINC000016226644 558779848 /nfs/dbraw/zinc/77/98/48/558779848.db2.gz FLIPDVQJIMJNMP-UHFFFAOYSA-N 0 0 417.215 4.878 40 5 HJBBRN O=c1nc2c3ccccc3/c(=C\c3ccc(Cl)cc3)n2c2sc3c(c21)CCC3 ZINC000016756696 558805782 /nfs/dbraw/zinc/80/57/82/558805782.db2.gz KFEKNAMREULNJW-LDADJPATSA-N 0 0 402.906 4.752 40 5 HJBBRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OCC ZINC000013634971 558848834 /nfs/dbraw/zinc/84/88/34/558848834.db2.gz NQWDPVNOZNHYAT-FQEVSTJZSA-N 0 0 406.442 4.577 40 5 HJBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000408569176 559219100 /nfs/dbraw/zinc/21/91/00/559219100.db2.gz JBHCSFGPHKYLFM-INIZCTEOSA-N 0 0 409.298 4.993 40 5 HJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408621997 559221800 /nfs/dbraw/zinc/22/18/00/559221800.db2.gz OSMHKIAOOJANJC-UHFFFAOYSA-N 0 0 401.762 4.977 40 5 HJBBRN CC(C)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 ZINC000408749150 559226423 /nfs/dbraw/zinc/22/64/23/559226423.db2.gz DVDVGJNHHOPMIL-UHFFFAOYSA-N 0 0 413.480 4.753 40 5 HJBBRN COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c(OC)c1 ZINC000408923023 559231896 /nfs/dbraw/zinc/23/18/96/559231896.db2.gz DQIRFHAVPRPCAE-XSFVSMFZSA-N 0 0 404.422 4.791 40 5 HJBBRN COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000409237598 559245702 /nfs/dbraw/zinc/24/57/02/559245702.db2.gz KAMSTBQITBQHMX-MHWRWJLKSA-N 0 0 422.846 4.581 40 5 HJBBRN COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000408921669 560654439 /nfs/dbraw/zinc/65/44/39/560654439.db2.gz CBOXUGXLUDFQBB-KGENOOAVSA-N 0 0 416.433 4.869 40 5 HJBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCC1 ZINC000408976596 560660473 /nfs/dbraw/zinc/66/04/73/560660473.db2.gz RVDKOMAUYZNUJF-UHFFFAOYSA-N 0 0 408.465 4.897 40 5 HJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408978142 560660796 /nfs/dbraw/zinc/66/07/96/560660796.db2.gz KTCSJGUPCKQXEQ-UHFFFAOYSA-N 0 0 424.420 4.781 40 5 HJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)c1 ZINC000409241244 560702286 /nfs/dbraw/zinc/70/22/86/560702286.db2.gz JSAZCXDLLOXSDJ-UDWIEESQSA-N 0 0 417.421 4.565 40 5 HJBBRN COc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1[N+](=O)[O-] ZINC000103768138 560844324 /nfs/dbraw/zinc/84/43/24/560844324.db2.gz JOUKTIYGQYATRY-HXUWFJFHSA-N 0 0 401.422 4.687 40 5 HJBBRN Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1C ZINC000106740447 560893539 /nfs/dbraw/zinc/89/35/39/560893539.db2.gz XUISULGAGREOEI-ODLFYWEKSA-N 0 0 407.451 4.631 40 5 HJBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000020141062 568590095 /nfs/dbraw/zinc/59/00/95/568590095.db2.gz VKTGRFUMWMMDQE-UHFFFAOYSA-N 0 0 407.209 4.906 40 5 HJBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000020969369 568653916 /nfs/dbraw/zinc/65/39/16/568653916.db2.gz OPIKTJJELDIVEW-UHFFFAOYSA-N 0 0 405.414 4.606 40 5 HJBBRN CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236966 568765571 /nfs/dbraw/zinc/76/55/71/568765571.db2.gz SLURTLKCVBJCND-UHFFFAOYSA-N 0 0 419.359 4.509 40 5 HJBBRN O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000002801994 568810676 /nfs/dbraw/zinc/81/06/76/568810676.db2.gz HSSNRAVGGCBCKZ-UHFFFAOYSA-N 0 0 424.482 4.976 40 5 HJBBRN O=[N+]([O-])c1ccc(Oc2c(F)c(F)c(I)c(F)c2F)cc1 ZINC000003847610 568927529 /nfs/dbraw/zinc/92/75/29/568927529.db2.gz OSWDIPMZGXBMDL-UHFFFAOYSA-N 0 0 413.064 4.548 40 5 HJBBRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000032114871 568945362 /nfs/dbraw/zinc/94/53/62/568945362.db2.gz WFVQSDFPARNYBS-UHFFFAOYSA-N 0 0 405.838 4.638 40 5 HJBBRN Cc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000223726970 569031315 /nfs/dbraw/zinc/03/13/15/569031315.db2.gz QUTYAHYFTGMMLR-UHFFFAOYSA-N 0 0 412.467 4.516 40 5 HJBBRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000001754088 569051904 /nfs/dbraw/zinc/05/19/04/569051904.db2.gz NQQCDNPVZULKOY-UHFFFAOYSA-N 0 0 404.728 4.895 40 5 HJBBRN CCc1cccc2c(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c[nH]c21 ZINC000006555913 569065219 /nfs/dbraw/zinc/06/52/19/569065219.db2.gz YPOSLJZEDVYPSY-VCHYOVAHSA-N 0 0 407.451 4.875 40 5 HJBBRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017089032 569274181 /nfs/dbraw/zinc/27/41/81/569274181.db2.gz IQPLBDJAPRHDRL-FARCUNLSSA-N 0 0 411.639 4.671 40 5 HJBBRN CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225075069 569324066 /nfs/dbraw/zinc/32/40/66/569324066.db2.gz WMXFHIXVOZCTPS-UHFFFAOYSA-N 0 0 412.467 4.911 40 5 HJBBRN Cc1noc(/C=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000108152350 569353462 /nfs/dbraw/zinc/35/34/62/569353462.db2.gz VSEYBWGWLYMOPX-ALCCZGGFSA-N 0 0 412.314 4.670 40 5 HJBBRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] ZINC000009056482 569391310 /nfs/dbraw/zinc/39/13/10/569391310.db2.gz ZJXJTNVHEWXPQB-LLVKDONJSA-N 0 0 418.862 4.726 40 5 HJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc21 ZINC000010010658 569394970 /nfs/dbraw/zinc/39/49/70/569394970.db2.gz MANUIRWWFFZRMZ-UHFFFAOYSA-N 0 0 421.862 4.663 40 5 HJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000032118593 571306914 /nfs/dbraw/zinc/30/69/14/571306914.db2.gz GRAUHPAGDIEJJE-UHFFFAOYSA-N 0 0 414.512 4.674 40 5 HJBBRN CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329018975 571307528 /nfs/dbraw/zinc/30/75/28/571307528.db2.gz NUJUWRXJWHYGNK-UHFFFAOYSA-N 0 0 419.363 5.126 40 5 HJBBRN