smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(=O)c2c(O)c(OC)c(C[C@@H](C)OC(=O)c3ccccc3)c3c4c(C[C@H](C)OC(=O)Oc5ccc(O)cc5)c(OC)c(O)c5c(=O)cc(OC)c(c1c23)c54 ZINC000085481774 1069680714 /nfs/dbraw/zinc/68/07/14/1069680714.db2.gz LSUTUUOITDQYNO-RTWAWAEBSA-N 0 2 790.774 6.981 40 5 KKBBLN COc1ccc([N+](=O)[O-])cc1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101139070 1069699622 /nfs/dbraw/zinc/69/96/22/1069699622.db2.gz USCLVBITRGLKPM-UHFFFAOYSA-N 0 2 511.538 5.183 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423083 1069717498 /nfs/dbraw/zinc/71/74/98/1069717498.db2.gz RUNNNURVNLQHNQ-UHFFFAOYSA-N 0 2 575.625 7.051 40 5 KKBBLN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733961 1071568937 /nfs/dbraw/zinc/56/89/37/1071568937.db2.gz TVKWIBQZJXKZHC-WNOXZJQASA-N 0 2 723.783 5.851 40 5 KKBBLN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730873 1071584557 /nfs/dbraw/zinc/58/45/57/1071584557.db2.gz UZQQYRKAIWZRIF-YOURIZNBSA-N 0 2 689.338 5.197 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737806 1071613133 /nfs/dbraw/zinc/61/31/33/1071613133.db2.gz XSJUQGXPLKDHTM-WUFINQPMSA-N 0 2 603.635 6.094 40 5 KKBBLN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409336776 1072407512 /nfs/dbraw/zinc/40/75/12/1072407512.db2.gz VUXQQMKJOVDZFM-QJWUKVPRSA-N 0 2 703.365 5.506 40 5 KKBBLN COc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409374108 1072640481 /nfs/dbraw/zinc/64/04/81/1072640481.db2.gz XOLCFFFJPJUUKX-UHFFFAOYSA-N 0 2 696.558 7.933 40 5 KKBBLN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(/C=C/c1ccccc1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000100150494 554231279 /nfs/dbraw/zinc/23/12/79/554231279.db2.gz QKWDBGNTYXBGKI-CAOOACKPSA-N 0 2 552.547 5.748 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(-c3ccc([N+](=O)[O-])cc3)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000059662992 554420952 /nfs/dbraw/zinc/42/09/52/554420952.db2.gz YRGNNBWEALFYLI-CMKKOEAFSA-N 0 2 625.645 5.410 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 ZINC000408563515 572249310 /nfs/dbraw/zinc/24/93/10/572249310.db2.gz AQPJLOZGEKRWCO-TUPPOGIXSA-N 0 2 568.855 5.736 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 ZINC000408563515 572249312 /nfs/dbraw/zinc/24/93/12/572249312.db2.gz AQPJLOZGEKRWCO-TUPPOGIXSA-N 0 2 568.855 5.736 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408563529 572249488 /nfs/dbraw/zinc/24/94/88/572249488.db2.gz AVSNPSNAEHNNAN-WSNNEZGNSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408563529 572249491 /nfs/dbraw/zinc/24/94/91/572249491.db2.gz AVSNPSNAEHNNAN-WSNNEZGNSA-N 0 2 577.262 5.857 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408563855 572249728 /nfs/dbraw/zinc/24/97/28/572249728.db2.gz BFDUCDPNERUGEN-OCAOGGMISA-N 0 2 612.908 6.135 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563864 572249798 /nfs/dbraw/zinc/24/97/98/572249798.db2.gz BFRQKFBLGRCHLM-GJECAEJISA-N 0 2 617.294 5.321 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563862 572249801 /nfs/dbraw/zinc/24/98/01/572249801.db2.gz BFRQKFBLGRCHLM-FODJJAHYSA-N 0 2 617.294 5.321 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564757 572250776 /nfs/dbraw/zinc/25/07/76/572250776.db2.gz FTZSNZBQWLIBQL-GJECAEJISA-N 0 2 512.393 5.403 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl ZINC000408564890 572251310 /nfs/dbraw/zinc/25/13/10/572251310.db2.gz GFWQCQPZUNNVOM-USCUKXROSA-N 0 2 568.457 6.026 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCN12 ZINC000408565163 572251805 /nfs/dbraw/zinc/25/18/05/572251805.db2.gz IINLWSMIEMKOHG-AWTIUKJOSA-N 0 2 534.410 5.083 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCN12 ZINC000408565163 572251807 /nfs/dbraw/zinc/25/18/07/572251807.db2.gz IINLWSMIEMKOHG-AWTIUKJOSA-N 0 2 534.410 5.083 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565520 572252793 /nfs/dbraw/zinc/25/27/93/572252793.db2.gz LFSJWGRUDUUOOB-YJIIWGRFSA-N 0 2 621.315 6.256 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565635 572252901 /nfs/dbraw/zinc/25/29/01/572252901.db2.gz LPZGZXVPPSYCID-BQVXCWBNSA-N 0 2 607.288 5.865 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565641 572252939 /nfs/dbraw/zinc/25/29/39/572252939.db2.gz LPZGZXVPPSYCID-NLRIEGLYSA-N 0 2 607.288 5.865 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408566229 572253624 /nfs/dbraw/zinc/25/36/24/572253624.db2.gz NJKRJMDAHKLERR-HSWHJCFASA-N 0 2 554.430 5.636 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566433 572253779 /nfs/dbraw/zinc/25/37/79/572253779.db2.gz NYNLGKOHGTUJJM-KITIHOALSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408566457 572253786 /nfs/dbraw/zinc/25/37/86/572253786.db2.gz OHLYPPZXWRYHCY-NUWWLQTNSA-N 0 2 582.426 5.230 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567246 572254246 /nfs/dbraw/zinc/25/42/46/572254246.db2.gz QNFPHUBHZDBAOU-CNBSGPCYSA-N 0 2 528.392 5.103 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567840 572254538 /nfs/dbraw/zinc/25/45/38/572254538.db2.gz RWTQFOJXPRQGPQ-UYDITSSVSA-N 0 2 570.415 5.088 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc2ccccc21 ZINC000408568318 572254812 /nfs/dbraw/zinc/25/48/12/572254812.db2.gz SYSBFXPQFBKFLD-ODTBUFRVSA-N 0 2 549.627 5.872 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@H]3[C@@H]([N+](=O)[O-])[C@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Cl)cc1 ZINC000408568401 572255064 /nfs/dbraw/zinc/25/50/64/572255064.db2.gz UHEFEKKQDLUNOE-ONRXEWETSA-N 0 2 538.431 5.935 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568879 572255330 /nfs/dbraw/zinc/25/53/30/572255330.db2.gz VCTDNYRZUARHSV-UQBYDPJISA-N 0 2 558.849 6.280 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408568941 572255351 /nfs/dbraw/zinc/25/53/51/572255351.db2.gz VIYXEUARRWREKR-DEEGFUGBSA-N 0 2 534.012 5.372 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568964 572255353 /nfs/dbraw/zinc/25/53/53/572255353.db2.gz VKMXIAPQIYKJEE-NUWWLQTNSA-N 0 2 643.332 5.854 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568976 572255532 /nfs/dbraw/zinc/25/55/32/572255532.db2.gz VKWBWWDUBRLMOB-UQBYDPJISA-N 0 2 524.404 5.627 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569373 572255611 /nfs/dbraw/zinc/25/56/11/572255611.db2.gz WCJWWADNIOIXGW-LHJUMPSXSA-N 0 2 523.589 5.339 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569375 572255671 /nfs/dbraw/zinc/25/56/71/572255671.db2.gz WCJWWADNIOIXGW-QLZDYINWSA-N 0 2 523.589 5.339 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@@H]1CCCN12 ZINC000408569643 572255863 /nfs/dbraw/zinc/25/58/63/572255863.db2.gz WUSXEOSFZLJTND-TUPPOGIXSA-N 0 2 603.300 6.389 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569704 572256082 /nfs/dbraw/zinc/25/60/82/572256082.db2.gz XCPBFVVEUNZNFH-HGMMTPDKSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408570043 572256131 /nfs/dbraw/zinc/25/61/31/572256131.db2.gz YFJGEKLSQGOTNF-NLRIEGLYSA-N 0 2 572.843 5.212 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 ZINC000408570069 572256207 /nfs/dbraw/zinc/25/62/07/572256207.db2.gz YKSFFEJOWQISHA-JQHZVFBJSA-N 0 2 542.394 5.766 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 ZINC000408570069 572256208 /nfs/dbraw/zinc/25/62/08/572256208.db2.gz YKSFFEJOWQISHA-JQHZVFBJSA-N 0 2 542.394 5.766 40 5 KKBBLN COc1ccc(-c2ccc(C(c3c(C)[nH]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)c([N+](=O)[O-])c1 ZINC000108423085 1069717830 /nfs/dbraw/zinc/71/78/30/1069717830.db2.gz OCYQMUNMDGRUQX-UHFFFAOYSA-N 0 2 577.597 6.443 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373452 1070896993 /nfs/dbraw/zinc/89/69/93/1070896993.db2.gz TVYXJHRFUCFFNU-UHFFFAOYSA-N 0 2 547.571 6.843 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737802 1071613117 /nfs/dbraw/zinc/61/31/17/1071613117.db2.gz XSJUQGXPLKDHTM-VSGBNLITSA-N 0 2 603.635 6.094 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000016292768 553559231 /nfs/dbraw/zinc/55/92/31/553559231.db2.gz IHHQXWNDVVPVIP-ZVBBVAIHSA-N 0 2 509.566 5.373 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(-c3ccc([N+](=O)[O-])cc3)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000059662984 554420970 /nfs/dbraw/zinc/42/09/70/554420970.db2.gz YRGNNBWEALFYLI-KQDQWFAOSA-N 0 2 625.645 5.410 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000101527154 554794298 /nfs/dbraw/zinc/79/42/98/554794298.db2.gz LQHSYCSRJXGYFC-VWLOTQADSA-N 0 2 566.401 5.775 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563198 572249079 /nfs/dbraw/zinc/24/90/79/572249079.db2.gz AAUKIXHAHKGDMC-UYDITSSVSA-N 0 2 542.419 5.493 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408563858 572249875 /nfs/dbraw/zinc/24/98/75/572249875.db2.gz BFDUCDPNERUGEN-SIJZCSJPSA-N 0 2 612.908 6.135 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408565113 572251781 /nfs/dbraw/zinc/25/17/81/572251781.db2.gz HRRTWHCUNGTENZ-KLPDMWAPSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408565113 572251784 /nfs/dbraw/zinc/25/17/84/572251784.db2.gz HRRTWHCUNGTENZ-KLPDMWAPSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565176 572251909 /nfs/dbraw/zinc/25/19/09/572251909.db2.gz INJIZEBSMJNLEB-OCAOGGMISA-N 0 2 596.453 5.620 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565189 572252103 /nfs/dbraw/zinc/25/21/03/572252103.db2.gz ITOVNRQMLIFZIK-NUWWLQTNSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565189 572252106 /nfs/dbraw/zinc/25/21/06/572252106.db2.gz ITOVNRQMLIFZIK-NUWWLQTNSA-N 0 2 537.975 5.121 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565400 572252609 /nfs/dbraw/zinc/25/26/09/572252609.db2.gz KHPWUVNCUSGBDS-TUPPOGIXSA-N 0 2 507.949 5.113 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565658 572252872 /nfs/dbraw/zinc/25/28/72/572252872.db2.gz LQJWUXROMABDOO-RZPHLTDDSA-N 0 2 542.817 5.203 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565658 572252873 /nfs/dbraw/zinc/25/28/73/572252873.db2.gz 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LPZGZXVPPSYCID-CNBSGPCYSA-N 0 2 607.288 5.865 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566431 572253676 /nfs/dbraw/zinc/25/36/76/572253676.db2.gz NYNLGKOHGTUJJM-IUUIHGGBSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(F)c1 ZINC000408566734 572253900 /nfs/dbraw/zinc/25/39/00/572253900.db2.gz OONRZHYQZMFTJQ-NUWWLQTNSA-N 0 2 582.426 5.230 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408568222 572254828 /nfs/dbraw/zinc/25/48/28/572254828.db2.gz SMPCYRLBHZXDKQ-TUPPOGIXSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568878 572255320 /nfs/dbraw/zinc/25/53/20/572255320.db2.gz VCTDNYRZUARHSV-TUPPOGIXSA-N 0 2 558.849 6.280 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569665 572255830 /nfs/dbraw/zinc/25/58/30/572255830.db2.gz WVKBYHNPKMGJDP-PWBHZWRTSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Br)cc1 ZINC000408569685 572255889 /nfs/dbraw/zinc/25/58/89/572255889.db2.gz WYIHDXKOVYLVJR-MOXRBOSHSA-N 0 2 564.436 5.091 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569707 572256036 /nfs/dbraw/zinc/25/60/36/572256036.db2.gz XCPBFVVEUNZNFH-WQWSHVPRSA-N 0 2 532.811 5.748 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570060 572256222 /nfs/dbraw/zinc/25/62/22/572256222.db2.gz YHFWUZYGTHIHNX-OCAOGGMISA-N 0 2 657.359 6.244 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570212 572256364 /nfs/dbraw/zinc/25/63/64/572256364.db2.gz ZVRLTIVRHNKMON-UYDITSSVSA-N 0 2 586.870 5.602 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423475 1069721921 /nfs/dbraw/zinc/72/19/21/1069721921.db2.gz QTNHCRPQGDQSAP-UHFFFAOYSA-N 0 2 561.598 6.743 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737796 1071613215 /nfs/dbraw/zinc/61/32/15/1071613215.db2.gz XSJUQGXPLKDHTM-IZLXSDGUSA-N 0 2 603.635 6.094 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409370771 1072651876 /nfs/dbraw/zinc/65/18/76/1072651876.db2.gz DSPOAJQQXCYKRF-UHFFFAOYSA-N 0 2 547.571 6.843 40 5 KKBBLN Cc1[nH]n(-c2nc(-c3ccccc3O)cs2)c(=O)c1C(c1c(C)[nH]n(-c2nc(-c3ccccc3O)cs2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000008426233 553018004 /nfs/dbraw/zinc/01/80/04/553018004.db2.gz RQAQYGIIOXPHEP-ULJKERAFSA-N 0 2 679.740 6.414 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100922645 554522576 /nfs/dbraw/zinc/52/25/76/554522576.db2.gz IZAQEVNAVAZTDD-CLJLJLNGSA-N 0 2 509.566 5.373 40 5 KKBBLN O=c1/c(=C\c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000100956981 554539899 /nfs/dbraw/zinc/53/98/99/554539899.db2.gz XWGCVQOWTHEMRH-SEXPAEGTSA-N 0 2 594.874 5.348 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000101527151 554794290 /nfs/dbraw/zinc/79/42/90/554794290.db2.gz LQHSYCSRJXGYFC-RUZDIDTESA-N 0 2 566.401 5.775 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000101620424 554809126 /nfs/dbraw/zinc/80/91/26/554809126.db2.gz NJQIKEFTLKDBRK-VWLOTQADSA-N 0 2 550.402 6.069 40 5 KKBBLN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C(O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000103554053 555445103 /nfs/dbraw/zinc/44/51/03/555445103.db2.gz PPCVFMUUBPASDY-PJGOFDOSSA-N 0 2 561.619 5.903 40 5 KKBBLN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O)c1ccc(N(C)C)cc1 ZINC000103762236 555471611 /nfs/dbraw/zinc/47/16/11/555471611.db2.gz GDQVJADSMZICLT-UHFFFAOYSA-N 0 2 569.578 5.149 40 5 KKBBLN O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000106110736 571411361 /nfs/dbraw/zinc/41/13/61/571411361.db2.gz DPNSCBYWZUJIIQ-JXMROGBWSA-N 0 2 564.973 5.764 40 5 KKBBLN COc1cc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000150436880 571496451 /nfs/dbraw/zinc/49/64/51/571496451.db2.gz AZARJFNQYOMLRF-PKTNWEFCSA-N 0 2 644.434 5.636 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563197 572249059 /nfs/dbraw/zinc/24/90/59/572249059.db2.gz AAUKIXHAHKGDMC-DNKZPPIMSA-N 0 2 542.419 5.493 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@H]1CCCN12 ZINC000408563490 572249269 /nfs/dbraw/zinc/24/92/69/572249269.db2.gz AMIPZIVFUINWHG-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@H]1CCCN12 ZINC000408563490 572249272 /nfs/dbraw/zinc/24/92/72/572249272.db2.gz AMIPZIVFUINWHG-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564417 572250455 /nfs/dbraw/zinc/25/04/55/572250455.db2.gz CTDOVUNHQADOIB-BQGAEBSMSA-N 0 2 633.326 6.398 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408564752 572250847 /nfs/dbraw/zinc/25/08/47/572250847.db2.gz FTOJUAKUKNNPND-BBFXTFFKSA-N 0 2 598.881 5.745 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564759 572250890 /nfs/dbraw/zinc/25/08/90/572250890.db2.gz FTZSNZBQWLIBQL-ZNCVFPSASA-N 0 2 512.393 5.403 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564930 572251324 /nfs/dbraw/zinc/25/13/24/572251324.db2.gz GMCTUMQBNQZORO-YJIIWGRFSA-N 0 2 542.419 5.493 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564957 572251428 /nfs/dbraw/zinc/25/14/28/572251428.db2.gz GUOFDSZWBGIMJQ-LAMXGVLKSA-N 0 2 516.356 5.233 40 5 KKBBLN Cc1ccc(COc2ccc([C@H]3[C@@H]([N+](=O)[O-])[C@@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Br)cc1 ZINC000408565006 572251504 /nfs/dbraw/zinc/25/15/04/572251504.db2.gz HCAQSLFQIVOPEH-DTOIDXSMSA-N 0 2 548.437 5.391 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565475 572252679 /nfs/dbraw/zinc/25/26/79/572252679.db2.gz KZDXQLBCJWKYMY-FODJJAHYSA-N 0 2 528.392 5.103 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565483 572252799 /nfs/dbraw/zinc/25/27/99/572252799.db2.gz KZDXQLBCJWKYMY-ZNCVFPSASA-N 0 2 528.392 5.103 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408566239 572253542 /nfs/dbraw/zinc/25/35/42/572253542.db2.gz NJKRJMDAHKLERR-RBYFDUNASA-N 0 2 554.430 5.636 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408566310 572253606 /nfs/dbraw/zinc/25/36/06/572253606.db2.gz NLKAPGKJLVSADI-OCAOGGMISA-N 0 2 647.353 6.788 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566437 572253673 /nfs/dbraw/zinc/25/36/73/572253673.db2.gz NYNLGKOHGTUJJM-PWBHZWRTSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408566458 572253718 /nfs/dbraw/zinc/25/37/18/572253718.db2.gz OHLYPPZXWRYHCY-XABOBXATSA-N 0 2 582.426 5.230 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567658 572254413 /nfs/dbraw/zinc/25/44/13/572254413.db2.gz QYLMRBRYPSGBRJ-OCAOGGMISA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567658 572254414 /nfs/dbraw/zinc/25/44/14/572254414.db2.gz QYLMRBRYPSGBRJ-OCAOGGMISA-N 0 2 552.002 5.511 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567754 572254518 /nfs/dbraw/zinc/25/45/18/572254518.db2.gz REOKDBYHPCJROB-SJZLBXHKSA-N 0 2 607.288 5.865 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567819 572254522 /nfs/dbraw/zinc/25/45/22/572254522.db2.gz RMOPCJFNFZEDKC-MFTACUCHSA-N 0 2 621.315 6.256 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408568350 572254854 /nfs/dbraw/zinc/25/48/54/572254854.db2.gz TYULBJYLDBUPFK-AWTIUKJOSA-N 0 2 524.404 5.627 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408568173 572254889 /nfs/dbraw/zinc/25/48/89/572254889.db2.gz SGRMJSHLZLWWEK-DPQOWFAMSA-N 0 2 542.817 5.203 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1Cl ZINC000408568332 572254891 /nfs/dbraw/zinc/25/48/91/572254891.db2.gz TWPMLYBKOOEWNA-HTZSSYRZSA-N 0 2 534.012 5.372 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1F)[C@@H]1CCCN12 ZINC000408568786 572255161 /nfs/dbraw/zinc/25/51/61/572255161.db2.gz UPCZNECLBVFRJF-UQBYDPJISA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1F)[C@@H]1CCCN12 ZINC000408568786 572255162 /nfs/dbraw/zinc/25/51/62/572255162.db2.gz UPCZNECLBVFRJF-UQBYDPJISA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@@H]1CCCN12 ZINC000408568774 572255165 /nfs/dbraw/zinc/25/51/65/572255165.db2.gz ULMQALLGCCRQCF-RJPUKIMISA-N 0 2 584.470 6.236 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1F)[C@H]1CCCN12 ZINC000408568783 572255177 /nfs/dbraw/zinc/25/51/77/572255177.db2.gz UPCZNECLBVFRJF-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1F)[C@H]1CCCN12 ZINC000408568783 572255178 /nfs/dbraw/zinc/25/51/78/572255178.db2.gz UPCZNECLBVFRJF-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl ZINC000408568845 572255331 /nfs/dbraw/zinc/25/53/31/572255331.db2.gz UXWZJNMTWLXNEO-HSWHJCFASA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl ZINC000408568848 572255339 /nfs/dbraw/zinc/25/53/39/572255339.db2.gz UXWZJNMTWLXNEO-MOXRBOSHSA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568957 572255348 /nfs/dbraw/zinc/25/53/48/572255348.db2.gz VKMXIAPQIYKJEE-BBFXTFFKSA-N 0 2 643.332 5.854 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408569403 572255579 /nfs/dbraw/zinc/25/55/79/572255579.db2.gz WOXJJSKQUSKMCC-RIOMWJCISA-N 0 2 584.470 6.236 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc2ccccc2c1 ZINC000408569419 572255769 /nfs/dbraw/zinc/25/57/69/572255769.db2.gz WQNOBZFFNMFFJY-RCDAXMBGSA-N 0 2 549.627 5.872 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1 ZINC000408569670 572255824 /nfs/dbraw/zinc/25/58/24/572255824.db2.gz WVLJCIFXNVIRDM-HDEUIXPWSA-N 0 2 548.437 5.391 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1 ZINC000408569670 572255825 /nfs/dbraw/zinc/25/58/25/572255825.db2.gz WVLJCIFXNVIRDM-HDEUIXPWSA-N 0 2 548.437 5.391 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@@H]1CCCN12 ZINC000408569644 572255827 /nfs/dbraw/zinc/25/58/27/572255827.db2.gz WUSXEOSFZLJTND-UQBYDPJISA-N 0 2 603.300 6.389 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569661 572255880 /nfs/dbraw/zinc/25/58/80/572255880.db2.gz WVKBYHNPKMGJDP-KITIHOALSA-N 0 2 532.811 5.748 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570059 572256235 /nfs/dbraw/zinc/25/62/35/572256235.db2.gz YHFWUZYGTHIHNX-KLPDMWAPSA-N 0 2 657.359 6.244 40 5 KKBBLN COc1cc(=O)c2c(O)c(OC)c(C[C@H](C)OC(=O)Oc3ccc(O)cc3)c3c4c(C[C@H](C)OC(=O)c5ccccc5)c(OC)c(O)c5c(=O)cc(OC)c(c1c23)c54 ZINC000085481770 1069680756 /nfs/dbraw/zinc/68/07/56/1069680756.db2.gz LSUTUUOITDQYNO-SFTDATJTSA-N 0 2 790.774 6.981 40 5 KKBBLN CCN(CC)c1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000108423182 1069718618 /nfs/dbraw/zinc/71/86/18/1069718618.db2.gz WZDYNCAXGTYAMA-UHFFFAOYSA-N 0 2 552.635 6.021 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000108423176 1069718712 /nfs/dbraw/zinc/71/87/12/1069718712.db2.gz KJMYYWYOGHMDLU-UHFFFAOYSA-N 0 2 524.581 5.240 40 5 KKBBLN CCOc1cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408983175 1071519625 /nfs/dbraw/zinc/51/96/25/1071519625.db2.gz FVVFHCFRZNNNNF-UHFFFAOYSA-N 0 2 645.672 6.792 40 5 KKBBLN COc1cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408988779 1071602585 /nfs/dbraw/zinc/60/25/85/1071602585.db2.gz ROKOENIHHNMFQM-UHFFFAOYSA-N 0 2 631.645 6.402 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737799 1071613100 /nfs/dbraw/zinc/61/31/00/1071613100.db2.gz XSJUQGXPLKDHTM-NSOVKSMOSA-N 0 2 603.635 6.094 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409372884 1072643967 /nfs/dbraw/zinc/64/39/67/1072643967.db2.gz RUPBMHVWYHCHHN-UHFFFAOYSA-N 0 2 582.016 7.497 40 5 KKBBLN CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409166702 1072702345 /nfs/dbraw/zinc/70/23/45/1072702345.db2.gz GCAVPVYLHAVMJQ-HXUWFJFHSA-N 0 2 567.455 5.077 40 5 KKBBLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5cccc([N+](=O)[O-])c5)cc4c3c2)c1 ZINC000005942035 552514384 /nfs/dbraw/zinc/51/43/84/552514384.db2.gz SRIRPKZSMVUODX-UHFFFAOYSA-N 0 2 568.545 5.004 40 5 KKBBLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCCCCCCCCCCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000100921935 554521774 /nfs/dbraw/zinc/52/17/74/554521774.db2.gz FZPNPKXBLNMCBD-UHFFFAOYSA-N 0 2 630.742 5.605 40 5 KKBBLN O=S(=O)(Nc1nccs1)c1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 ZINC000100922629 554522340 /nfs/dbraw/zinc/52/23/40/554522340.db2.gz BLRQADMEORJSOI-QVTSOHHYSA-N 0 2 566.689 7.352 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccccc1[N+](=O)[O-] ZINC000101620421 554809164 /nfs/dbraw/zinc/80/91/64/554809164.db2.gz NJQIKEFTLKDBRK-RUZDIDTESA-N 0 2 550.402 6.069 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000101621099 554809291 /nfs/dbraw/zinc/80/92/91/554809291.db2.gz LWJCBELZWCNVHJ-VWLOTQADSA-N 0 2 550.402 6.069 40 5 KKBBLN COc1ccc(Br)cc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1cccc([N+](=O)[O-])c1 ZINC000102887106 555118108 /nfs/dbraw/zinc/11/81/08/555118108.db2.gz ZTBXZOFYYWFZSK-FSSWDIPSSA-N 0 2 558.772 5.070 40 5 KKBBLN CCCCCCOc1ccc(C(c2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000150363249 571464256 /nfs/dbraw/zinc/46/42/56/571464256.db2.gz YZJWBLOKKSLBFP-UHFFFAOYSA-N 0 2 750.812 9.759 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563404 572249326 /nfs/dbraw/zinc/24/93/26/572249326.db2.gz AJSSSZJSVGEXLK-CWWSAELMSA-N 0 2 542.394 5.766 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563943 572250131 /nfs/dbraw/zinc/25/01/31/572250131.db2.gz BSKBDHALUBVRIJ-BYGVMDBSSA-N 0 2 631.321 5.711 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564464 572250334 /nfs/dbraw/zinc/25/03/34/572250334.db2.gz CZXSVYHGKARFFI-XABOBXATSA-N 0 2 598.881 5.745 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564431 572250385 /nfs/dbraw/zinc/25/03/85/572250385.db2.gz CUAYVHXHPPZODH-USCUKXROSA-N 0 2 568.457 6.026 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(C)cc1 ZINC000408564826 572251075 /nfs/dbraw/zinc/25/10/75/572251075.db2.gz FYKRIOHMDMBBFZ-BJBOMGFNSA-N 0 2 513.594 5.027 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408565177 572251750 /nfs/dbraw/zinc/25/17/50/572251750.db2.gz INJIZEBSMJNLEB-SIJZCSJPSA-N 0 2 596.453 5.620 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CCCN12 ZINC000408565165 572251765 /nfs/dbraw/zinc/25/17/65/572251765.db2.gz IINLWSMIEMKOHG-UQBYDPJISA-N 0 2 534.410 5.083 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CCCN12 ZINC000408565165 572251767 /nfs/dbraw/zinc/25/17/67/572251767.db2.gz IINLWSMIEMKOHG-UQBYDPJISA-N 0 2 534.410 5.083 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565507 572252836 /nfs/dbraw/zinc/25/28/36/572252836.db2.gz LAHAGXJDTNRDCM-LADVCJOISA-N 0 2 558.849 6.280 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565516 572252852 /nfs/dbraw/zinc/25/28/52/572252852.db2.gz LFSJWGRUDUUOOB-OTGIWPJISA-N 0 2 621.315 6.256 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408565604 572252926 /nfs/dbraw/zinc/25/29/26/572252926.db2.gz LNEGAFYGSOXHAB-GFNGZDJJSA-N 0 2 566.452 5.257 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408565703 572253024 /nfs/dbraw/zinc/25/30/24/572253024.db2.gz LTIXNVKCZXXZOM-BQGAEBSMSA-N 0 2 582.426 5.230 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565929 572253174 /nfs/dbraw/zinc/25/31/74/572253174.db2.gz MFCXFKLFQIDFSI-WSNNEZGNSA-N 0 2 577.262 5.857 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Br)cc1 ZINC000408565768 572253203 /nfs/dbraw/zinc/25/32/03/572253203.db2.gz MCQILYCHOHJUDX-HTZSSYRZSA-N 0 2 578.463 5.481 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565955 572253325 /nfs/dbraw/zinc/25/33/25/572253325.db2.gz MFXHSAQDBFLVRR-XABOBXATSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565955 572253327 /nfs/dbraw/zinc/25/33/27/572253327.db2.gz MFXHSAQDBFLVRR-XABOBXATSA-N 0 2 537.975 5.121 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566651 572253848 /nfs/dbraw/zinc/25/38/48/572253848.db2.gz OHUBQQSZSAXIBZ-YJIIWGRFSA-N 0 2 586.870 5.602 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566817 572254057 /nfs/dbraw/zinc/25/40/57/572254057.db2.gz OYWXSGZYCTZSON-OVIZOQQBSA-N 0 2 614.496 6.244 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568826 572255364 /nfs/dbraw/zinc/25/53/64/572255364.db2.gz UUEKCJHSZCJKAC-KLPDMWAPSA-N 0 2 568.457 6.026 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568826 572255365 /nfs/dbraw/zinc/25/53/65/572255365.db2.gz UUEKCJHSZCJKAC-KLPDMWAPSA-N 0 2 568.457 6.026 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408568967 572255513 /nfs/dbraw/zinc/25/55/13/572255513.db2.gz VKMXIAPQIYKJEE-XABOBXATSA-N 0 2 643.332 5.854 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569374 572255550 /nfs/dbraw/zinc/25/55/50/572255550.db2.gz WCJWWADNIOIXGW-PPSCSQRBSA-N 0 2 523.589 5.339 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@H]1CCCN12 ZINC000408569401 572255606 /nfs/dbraw/zinc/25/56/06/572255606.db2.gz WOXJJSKQUSKMCC-GYZUZPTJSA-N 0 2 584.470 6.236 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569654 572255869 /nfs/dbraw/zinc/25/58/69/572255869.db2.gz WVAUIZVNECPLKQ-UQBYDPJISA-N 0 2 507.949 5.113 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408570038 572256167 /nfs/dbraw/zinc/25/61/67/572256167.db2.gz YFJGEKLSQGOTNF-BQVXCWBNSA-N 0 2 572.843 5.212 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570061 572256200 /nfs/dbraw/zinc/25/62/00/572256200.db2.gz YHFWUZYGTHIHNX-SIJZCSJPSA-N 0 2 657.359 6.244 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570214 572256368 /nfs/dbraw/zinc/25/63/68/572256368.db2.gz ZVRLTIVRHNKMON-YDOVEJIGSA-N 0 2 586.870 5.602 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423484 1069722039 /nfs/dbraw/zinc/72/20/39/1069722039.db2.gz BFSXXWSWWVTKNL-UHFFFAOYSA-N 0 2 561.598 6.743 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369695 1072657977 /nfs/dbraw/zinc/65/79/77/1072657977.db2.gz WAEREXYQALOVMJ-UHFFFAOYSA-N 0 2 565.561 6.982 40 5 KKBBLN O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc32)cc1 ZINC000005614318 552505432 /nfs/dbraw/zinc/50/54/32/552505432.db2.gz DRNCPIFAROXRGL-UHFFFAOYSA-N 0 2 540.048 6.640 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000016292761 553559245 /nfs/dbraw/zinc/55/92/45/553559245.db2.gz YJYOGLFWUVHCQS-ZVBBVAIHSA-N 0 2 525.565 5.079 40 5 KKBBLN COc1cc(=O)c2c(O)c(OC)c(C[C@@H](C)OC(=O)Oc3ccc(O)cc3)c3c4c(C[C@@H](C)OC(=O)c5ccccc5)c(OC)c(O)c5c(=O)cc(OC)c(c1c23)c54 ZINC000085481767 553682229 /nfs/dbraw/zinc/68/22/29/553682229.db2.gz LSUTUUOITDQYNO-NHCUHLMSSA-N 0 2 790.774 6.981 40 5 in-vitro KKBBLN COc1ccc(Cl)cc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000060028255 554491731 /nfs/dbraw/zinc/49/17/31/554491731.db2.gz KEIYUXWRTYRVHG-HSZRJFAPSA-N 0 2 560.072 5.664 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100922641 554522567 /nfs/dbraw/zinc/52/25/67/554522567.db2.gz IHHQXWNDVVPVIP-CLJLJLNGSA-N 0 2 509.566 5.373 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100930843 554527164 /nfs/dbraw/zinc/52/71/64/554527164.db2.gz JJFZXDSDHSNMCQ-VSGBNLITSA-N 0 2 537.620 5.990 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(-c3ccc([N+](=O)[O-])cc3)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000221965423 571604606 /nfs/dbraw/zinc/60/46/06/571604606.db2.gz YRGNNBWEALFYLI-WFLWKIQJSA-N 0 2 625.645 5.410 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563865 572249733 /nfs/dbraw/zinc/24/97/33/572249733.db2.gz BFRQKFBLGRCHLM-SQOVJYTMSA-N 0 2 617.294 5.321 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563846 572249763 /nfs/dbraw/zinc/24/97/63/572249763.db2.gz BDEIMUKMDCZMHZ-YUHKXCSQSA-N 0 2 568.855 5.736 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408564753 572250816 /nfs/dbraw/zinc/25/08/16/572250816.db2.gz FTOJUAKUKNNPND-BQGAEBSMSA-N 0 2 598.881 5.745 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408564954 572251484 /nfs/dbraw/zinc/25/14/84/572251484.db2.gz GTWVSJORXOCCFF-YJIIWGRFSA-N 0 2 570.415 5.088 40 5 KKBBLN Cc1ccc(COc2ccc([C@H]3[C@@H]([N+](=O)[O-])[C@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Br)cc1 ZINC000408565008 572251506 /nfs/dbraw/zinc/25/15/06/572251506.db2.gz HCAQSLFQIVOPEH-HDEUIXPWSA-N 0 2 548.437 5.391 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564959 572251508 /nfs/dbraw/zinc/25/15/08/572251508.db2.gz GUOFDSZWBGIMJQ-WSNNEZGNSA-N 0 2 516.356 5.233 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408565175 572251872 /nfs/dbraw/zinc/25/18/72/572251872.db2.gz INJIZEBSMJNLEB-KLPDMWAPSA-N 0 2 596.453 5.620 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408565120 572251902 /nfs/dbraw/zinc/25/19/02/572251902.db2.gz HRRTWHCUNGTENZ-SIJZCSJPSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408565120 572251904 /nfs/dbraw/zinc/25/19/04/572251904.db2.gz HRRTWHCUNGTENZ-SIJZCSJPSA-N 0 2 552.002 5.511 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565652 572252927 /nfs/dbraw/zinc/25/29/27/572252927.db2.gz LQJWUXROMABDOO-HFRGRHLUSA-N 0 2 542.817 5.203 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565652 572252928 /nfs/dbraw/zinc/25/29/28/572252928.db2.gz LQJWUXROMABDOO-HFRGRHLUSA-N 0 2 542.817 5.203 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565950 572253300 /nfs/dbraw/zinc/25/33/00/572253300.db2.gz MFXHSAQDBFLVRR-BQGAEBSMSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565950 572253302 /nfs/dbraw/zinc/25/33/02/572253302.db2.gz MFXHSAQDBFLVRR-BQGAEBSMSA-N 0 2 537.975 5.121 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566648 572253907 /nfs/dbraw/zinc/25/39/07/572253907.db2.gz OHUBQQSZSAXIBZ-STNVRERYSA-N 0 2 586.870 5.602 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567714 572254461 /nfs/dbraw/zinc/25/44/61/572254461.db2.gz QZFQBPAENLKNNS-UYDITSSVSA-N 0 2 542.419 5.493 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568135 572254749 /nfs/dbraw/zinc/25/47/49/572254749.db2.gz SCBHTRMFYAZXOZ-AWTIUKJOSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568135 572254750 /nfs/dbraw/zinc/25/47/50/572254750.db2.gz SCBHTRMFYAZXOZ-AWTIUKJOSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568352 572254815 /nfs/dbraw/zinc/25/48/15/572254815.db2.gz TYULBJYLDBUPFK-TUPPOGIXSA-N 0 2 524.404 5.627 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408568181 572254821 /nfs/dbraw/zinc/25/48/21/572254821.db2.gz SGRMJSHLZLWWEK-FMNCTDSISA-N 0 2 542.817 5.203 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc2ccccc21 ZINC000408568321 572254848 /nfs/dbraw/zinc/25/48/48/572254848.db2.gz SYSBFXPQFBKFLD-PXIGIZQUSA-N 0 2 549.627 5.872 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568417 572255041 /nfs/dbraw/zinc/25/50/41/572255041.db2.gz UJPQYLSOYXQWOL-YDOVEJIGSA-N 0 2 586.870 5.602 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408568377 572255043 /nfs/dbraw/zinc/25/50/43/572255043.db2.gz UFAKGGMKOWJYIE-BBFXTFFKSA-N 0 2 564.436 5.091 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408568868 572255298 /nfs/dbraw/zinc/25/52/98/572255298.db2.gz VCQIEFCWRHDVQY-UQBYDPJISA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408568871 572255306 /nfs/dbraw/zinc/25/53/06/572255306.db2.gz VCQIEFCWRHDVQY-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408568865 572255327 /nfs/dbraw/zinc/25/53/27/572255327.db2.gz VCQIEFCWRHDVQY-TUPPOGIXSA-N 0 2 552.400 5.222 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408568947 572255335 /nfs/dbraw/zinc/25/53/35/572255335.db2.gz VIYXEUARRWREKR-UMDVNSCSSA-N 0 2 534.012 5.372 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl ZINC000408568849 572255345 /nfs/dbraw/zinc/25/53/45/572255345.db2.gz UXWZJNMTWLXNEO-PBPLDAPSSA-N 0 2 554.430 5.636 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570088 572256275 /nfs/dbraw/zinc/25/62/75/572256275.db2.gz YPZGQUQWXDXXLP-MQVPCNEGSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570088 572256276 /nfs/dbraw/zinc/25/62/76/572256276.db2.gz YPZGQUQWXDXXLP-MQVPCNEGSA-N 0 2 577.262 5.857 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409369618 1070893360 /nfs/dbraw/zinc/89/33/60/1070893360.db2.gz RUGYGINKPYVWJP-UHFFFAOYSA-N 0 2 587.636 7.162 40 5 KKBBLN CCOc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409374203 1072639176 /nfs/dbraw/zinc/63/91/76/1072639176.db2.gz YQOSYESWNCGKAD-UHFFFAOYSA-N 0 2 710.585 8.323 40 5 KKBBLN CC=c1c(C)c2cc3nc(c4cc(=O)c5c(C)c(cc6[nH]c(cc1[nH+]2)c(C)c6CC)[nH]c45)c(CCC(=O)[O-])c3C ZINC001560408826 1073195337 /nfs/dbraw/zinc/19/53/37/1073195337.db2.gz PZDNPELRSMRBJQ-UHFFFAOYSA-N 0 2 532.644 7.065 40 5 KKBBLN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000060028254 554491747 /nfs/dbraw/zinc/49/17/47/554491747.db2.gz KEIYUXWRTYRVHG-QHCPKHFHSA-N 0 2 560.072 5.664 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100930841 554527184 /nfs/dbraw/zinc/52/71/84/554527184.db2.gz JJFZXDSDHSNMCQ-ULJKERAFSA-N 0 2 537.620 5.990 40 5 KKBBLN COc1ccc(Br)cc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1cccc([N+](=O)[O-])c1 ZINC000102887110 555118212 /nfs/dbraw/zinc/11/82/12/555118212.db2.gz ZTBXZOFYYWFZSK-FKBYEOEOSA-N 0 2 558.772 5.070 40 5 KKBBLN Cc1cc(C)c(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)c(C)c1 ZINC000103770931 555474807 /nfs/dbraw/zinc/47/48/07/555474807.db2.gz WTLVGFHXMDRUTE-UHFFFAOYSA-N 0 2 609.780 7.201 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 ZINC000408563514 572249389 /nfs/dbraw/zinc/24/93/89/572249389.db2.gz AQPJLOZGEKRWCO-AWTIUKJOSA-N 0 2 568.855 5.736 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 ZINC000408563514 572249390 /nfs/dbraw/zinc/24/93/90/572249390.db2.gz AQPJLOZGEKRWCO-AWTIUKJOSA-N 0 2 568.855 5.736 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 ZINC000408563883 572249734 /nfs/dbraw/zinc/24/97/34/572249734.db2.gz BJGMEQJJUBCYIQ-UQBYDPJISA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 ZINC000408563883 572249735 /nfs/dbraw/zinc/24/97/35/572249735.db2.gz BJGMEQJJUBCYIQ-UQBYDPJISA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563844 572249806 /nfs/dbraw/zinc/24/98/06/572249806.db2.gz BDEIMUKMDCZMHZ-UQBYDPJISA-N 0 2 568.855 5.736 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564395 572250458 /nfs/dbraw/zinc/25/04/58/572250458.db2.gz CMUZECKZIBMNGH-OCAOGGMISA-N 0 2 612.908 6.135 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564691 572250684 /nfs/dbraw/zinc/25/06/84/572250684.db2.gz DPTRSPVAGUNNEY-PWBHZWRTSA-N 0 2 516.356 5.233 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(C)cc1 ZINC000408564829 572251058 /nfs/dbraw/zinc/25/10/58/572251058.db2.gz FYKRIOHMDMBBFZ-HVZWKLCKSA-N 0 2 513.594 5.027 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(C)cc1 ZINC000408564832 572251073 /nfs/dbraw/zinc/25/10/73/572251073.db2.gz FYKRIOHMDMBBFZ-SAWAIYNCSA-N 0 2 513.594 5.027 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564919 572251250 /nfs/dbraw/zinc/25/12/50/572251250.db2.gz GLAVBDWTEHOVSO-WQWSHVPRSA-N 0 2 516.356 5.233 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564958 572251477 /nfs/dbraw/zinc/25/14/77/572251477.db2.gz GUOFDSZWBGIMJQ-WQWSHVPRSA-N 0 2 516.356 5.233 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565085 572251796 /nfs/dbraw/zinc/25/17/96/572251796.db2.gz HQVREXIWAAZWFI-BBFXTFFKSA-N 0 2 633.326 6.398 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408565122 572251833 /nfs/dbraw/zinc/25/18/33/572251833.db2.gz HRRTWHCUNGTENZ-ZVFGGPEJSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408565122 572251836 /nfs/dbraw/zinc/25/18/36/572251836.db2.gz HRRTWHCUNGTENZ-ZVFGGPEJSA-N 0 2 552.002 5.511 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565421 572252541 /nfs/dbraw/zinc/25/25/41/572252541.db2.gz KQFOKNTZAAFJTR-BQGAEBSMSA-N 0 2 598.881 5.745 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408565565 572252769 /nfs/dbraw/zinc/25/27/69/572252769.db2.gz LKASHLKONSLWSJ-BBFXTFFKSA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1Cl ZINC000408565565 572252771 /nfs/dbraw/zinc/25/27/71/572252771.db2.gz LKASHLKONSLWSJ-BBFXTFFKSA-N 0 2 554.430 5.636 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565518 572252789 /nfs/dbraw/zinc/25/27/89/572252789.db2.gz LFSJWGRUDUUOOB-STNVRERYSA-N 0 2 621.315 6.256 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408565677 572253066 /nfs/dbraw/zinc/25/30/66/572253066.db2.gz LRILBXPHHMEHSC-ZVFGGPEJSA-N 0 2 578.463 5.481 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566411 572253708 /nfs/dbraw/zinc/25/37/08/572253708.db2.gz NUBKWSFACZTSNB-WSNNEZGNSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(F)c1 ZINC000408566738 572253858 /nfs/dbraw/zinc/25/38/58/572253858.db2.gz OONRZHYQZMFTJQ-XABOBXATSA-N 0 2 582.426 5.230 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408566816 572253981 /nfs/dbraw/zinc/25/39/81/572253981.db2.gz OYWXSGZYCTZSON-JQZJBFTCSA-N 0 2 614.496 6.244 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567190 572254359 /nfs/dbraw/zinc/25/43/59/572254359.db2.gz QFSSJCVREVNINJ-SIJZCSJPSA-N 0 2 647.353 6.788 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408567652 572254416 /nfs/dbraw/zinc/25/44/16/572254416.db2.gz QYLMRBRYPSGBRJ-KLPDMWAPSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567652 572254418 /nfs/dbraw/zinc/25/44/18/572254418.db2.gz QYLMRBRYPSGBRJ-KLPDMWAPSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1Cl ZINC000408568330 572254864 /nfs/dbraw/zinc/25/48/64/572254864.db2.gz TWPMLYBKOOEWNA-DEEGFUGBSA-N 0 2 534.012 5.372 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408568187 572254871 /nfs/dbraw/zinc/25/48/71/572254871.db2.gz SGRMJSHLZLWWEK-MQVPCNEGSA-N 0 2 542.817 5.203 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@H]1CCCN12 ZINC000408568438 572255032 /nfs/dbraw/zinc/25/50/32/572255032.db2.gz ULMQALLGCCRQCF-GYZUZPTJSA-N 0 2 584.470 6.236 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568415 572255076 /nfs/dbraw/zinc/25/50/76/572255076.db2.gz UJPQYLSOYXQWOL-UYDITSSVSA-N 0 2 586.870 5.602 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408569376 572255594 /nfs/dbraw/zinc/25/55/94/572255594.db2.gz WCJWWADNIOIXGW-YKZUFBCQSA-N 0 2 523.589 5.339 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408569676 572255834 /nfs/dbraw/zinc/25/58/34/572255834.db2.gz WVLJCIFXNVIRDM-JGDRUYDSSA-N 0 2 548.437 5.391 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1 ZINC000408569676 572255835 /nfs/dbraw/zinc/25/58/35/572255835.db2.gz WVLJCIFXNVIRDM-JGDRUYDSSA-N 0 2 548.437 5.391 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408569673 572255849 /nfs/dbraw/zinc/25/58/49/572255849.db2.gz WVLJCIFXNVIRDM-IWEUKVTLSA-N 0 2 548.437 5.391 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1 ZINC000408569673 572255851 /nfs/dbraw/zinc/25/58/51/572255851.db2.gz WVLJCIFXNVIRDM-IWEUKVTLSA-N 0 2 548.437 5.391 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569701 572255916 /nfs/dbraw/zinc/25/59/16/572255916.db2.gz XBHZZJDLEQBYCL-SQOVJYTMSA-N 0 2 572.843 5.212 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000108423190 1069719286 /nfs/dbraw/zinc/71/92/86/1069719286.db2.gz HGDIMXUFLIKKPT-UHFFFAOYSA-N 0 2 566.618 5.011 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409372174 1069806916 /nfs/dbraw/zinc/80/69/16/1069806916.db2.gz LWLSMDJPYJRKQU-UHFFFAOYSA-N 0 2 547.571 6.843 40 5 KKBBLN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408730870 1071584619 /nfs/dbraw/zinc/58/46/19/1071584619.db2.gz UZQQYRKAIWZRIF-GSOQPGDSSA-N 0 2 689.338 5.197 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408737382 1071615461 /nfs/dbraw/zinc/61/54/61/1071615461.db2.gz NMBWZBNULBTCGG-XMMPIXPASA-N 0 2 603.635 6.443 40 5 KKBBLN COc1cc([N+](=O)[O-])ccc1-c1ccc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)o1 ZINC000409372667 1072644522 /nfs/dbraw/zinc/64/45/22/1072644522.db2.gz PBLUDUZMUAEQGR-UHFFFAOYSA-N 0 2 577.597 6.852 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409369102 1072661020 /nfs/dbraw/zinc/66/10/20/1072661020.db2.gz CJBXNHZRGNQDKN-UHFFFAOYSA-N 0 2 745.428 8.687 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409367492 1072670349 /nfs/dbraw/zinc/67/03/49/1072670349.db2.gz BTMXWFMRKSJRLI-UHFFFAOYSA-N 0 2 561.598 7.152 40 5 KKBBLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCCCCCCCCCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000100921933 554521721 /nfs/dbraw/zinc/52/17/21/554521721.db2.gz WOGMIZJGRGKLSV-UHFFFAOYSA-N 0 2 630.742 5.605 40 5 KKBBLN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C(O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000103554057 555445086 /nfs/dbraw/zinc/44/50/86/555445086.db2.gz PPCVFMUUBPASDY-FFAHVWSXSA-N 0 2 561.619 5.903 40 5 KKBBLN CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C(O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 ZINC000103554052 555445185 /nfs/dbraw/zinc/44/51/85/555445185.db2.gz PPCVFMUUBPASDY-IDSQFFPFSA-N 0 2 561.619 5.903 40 5 KKBBLN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)sc2=N1 ZINC000104676801 571385190 /nfs/dbraw/zinc/38/51/90/571385190.db2.gz KRNNGZFUIDJGTM-RWTNITNYSA-N 0 2 614.518 5.078 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@H]1CCCN12 ZINC000408563880 572249781 /nfs/dbraw/zinc/24/97/81/572249781.db2.gz BJGMEQJJUBCYIQ-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@H]1CCCN12 ZINC000408563880 572249783 /nfs/dbraw/zinc/24/97/83/572249783.db2.gz BJGMEQJJUBCYIQ-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563840 572249845 /nfs/dbraw/zinc/24/98/45/572249845.db2.gz BDEIMUKMDCZMHZ-AWTIUKJOSA-N 0 2 568.855 5.736 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563948 572250157 /nfs/dbraw/zinc/25/01/57/572250157.db2.gz BSKBDHALUBVRIJ-UYDITSSVSA-N 0 2 631.321 5.711 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564461 572250410 /nfs/dbraw/zinc/25/04/10/572250410.db2.gz CZXSVYHGKARFFI-NUWWLQTNSA-N 0 2 598.881 5.745 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564675 572250668 /nfs/dbraw/zinc/25/06/68/572250668.db2.gz DNYQAEBHAAGYHV-CIHKJSBTSA-N 0 2 528.392 5.103 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCN12 ZINC000408565166 572251820 /nfs/dbraw/zinc/25/18/20/572251820.db2.gz IINLWSMIEMKOHG-YUHKXCSQSA-N 0 2 534.410 5.083 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCN12 ZINC000408565166 572251822 /nfs/dbraw/zinc/25/18/22/572251822.db2.gz IINLWSMIEMKOHG-YUHKXCSQSA-N 0 2 534.410 5.083 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565399 572252567 /nfs/dbraw/zinc/25/25/67/572252567.db2.gz KHPWUVNCUSGBDS-AWTIUKJOSA-N 0 2 507.949 5.113 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565449 572252572 /nfs/dbraw/zinc/25/25/72/572252572.db2.gz KTNWDKGOXZTCTO-SIJZCSJPSA-N 0 2 612.908 6.135 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565423 572252691 /nfs/dbraw/zinc/25/26/91/572252691.db2.gz KQFOKNTZAAFJTR-NUWWLQTNSA-N 0 2 598.881 5.745 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565637 572252894 /nfs/dbraw/zinc/25/28/94/572252894.db2.gz LPZGZXVPPSYCID-CIHKJSBTSA-N 0 2 607.288 5.865 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565670 572253045 /nfs/dbraw/zinc/25/30/45/572253045.db2.gz LRFPMOMNMOKXBZ-ZNCVFPSASA-N 0 2 572.843 5.212 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565671 572253062 /nfs/dbraw/zinc/25/30/62/572253062.db2.gz LRILBXPHHMEHSC-KLPDMWAPSA-N 0 2 578.463 5.481 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Br)cc1 ZINC000408565771 572253186 /nfs/dbraw/zinc/25/31/86/572253186.db2.gz MCQILYCHOHJUDX-USCUKXROSA-N 0 2 578.463 5.481 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565927 572253210 /nfs/dbraw/zinc/25/32/10/572253210.db2.gz MFCXFKLFQIDFSI-WQWSHVPRSA-N 0 2 577.262 5.857 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408566313 572253530 /nfs/dbraw/zinc/25/35/30/572253530.db2.gz NLKAPGKJLVSADI-SIJZCSJPSA-N 0 2 647.353 6.788 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408567095 572254158 /nfs/dbraw/zinc/25/41/58/572254158.db2.gz PRACVQBCOJXTSN-JQHZVFBJSA-N 0 2 558.849 6.280 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 ZINC000408567225 572254257 /nfs/dbraw/zinc/25/42/57/572254257.db2.gz QJXNRKJILOFDGJ-UQBYDPJISA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 ZINC000408567225 572254259 /nfs/dbraw/zinc/25/42/59/572254259.db2.gz QJXNRKJILOFDGJ-UQBYDPJISA-N 0 2 603.300 6.389 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567186 572254302 /nfs/dbraw/zinc/25/43/02/572254302.db2.gz QFSSJCVREVNINJ-KLPDMWAPSA-N 0 2 647.353 6.788 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567710 572254411 /nfs/dbraw/zinc/25/44/11/572254411.db2.gz QZFQBPAENLKNNS-DNKZPPIMSA-N 0 2 542.419 5.493 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567838 572254545 /nfs/dbraw/zinc/25/45/45/572254545.db2.gz RWTQFOJXPRQGPQ-BYGVMDBSSA-N 0 2 570.415 5.088 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568827 572255358 /nfs/dbraw/zinc/25/53/58/572255358.db2.gz UUEKCJHSZCJKAC-OCAOGGMISA-N 0 2 568.457 6.026 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568827 572255359 /nfs/dbraw/zinc/25/53/59/572255359.db2.gz UUEKCJHSZCJKAC-OCAOGGMISA-N 0 2 568.457 6.026 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569369 572255563 /nfs/dbraw/zinc/25/55/63/572255563.db2.gz WAMXTKBVJLBQHR-AWTIUKJOSA-N 0 2 558.849 6.280 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569370 572255648 /nfs/dbraw/zinc/25/56/48/572255648.db2.gz WAMXTKBVJLBQHR-TUPPOGIXSA-N 0 2 558.849 6.280 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569425 572255720 /nfs/dbraw/zinc/25/57/20/572255720.db2.gz WSKZHHJKSHZXPQ-XFHDSQNASA-N 0 2 588.458 5.712 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569422 572255731 /nfs/dbraw/zinc/25/57/31/572255731.db2.gz WSKZHHJKSHZXPQ-JWCTUAFDSA-N 0 2 588.458 5.712 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569659 572255913 /nfs/dbraw/zinc/25/59/13/572255913.db2.gz WVKBYHNPKMGJDP-IUUIHGGBSA-N 0 2 532.811 5.748 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408570062 572256122 /nfs/dbraw/zinc/25/61/22/572256122.db2.gz YHFWUZYGTHIHNX-ZVFGGPEJSA-N 0 2 657.359 6.244 40 5 KKBBLN CCOc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409368833 1072663137 /nfs/dbraw/zinc/66/31/37/1072663137.db2.gz OWHJJEGDFKYWME-UHFFFAOYSA-N 0 2 757.585 8.166 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368121 1072667233 /nfs/dbraw/zinc/66/72/33/1072667233.db2.gz RZIRZCIYWMWACW-UHFFFAOYSA-N 0 2 582.016 7.497 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000101621094 554809331 /nfs/dbraw/zinc/80/93/31/554809331.db2.gz LWJCBELZWCNVHJ-RUZDIDTESA-N 0 2 550.402 6.069 40 5 KKBBLN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O)c1ccccc1 ZINC000103762220 555471590 /nfs/dbraw/zinc/47/15/90/555471590.db2.gz TZYJGZYVPQAAKP-UHFFFAOYSA-N 0 2 526.509 5.083 40 5 KKBBLN Cc1nc(Nc2ccccc2[N+](=O)[O-])sc1C(=O)C=C(O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000104301534 571378695 /nfs/dbraw/zinc/37/86/95/571378695.db2.gz VOYBMMCJYFNXIS-UHFFFAOYSA-N 0 2 508.600 6.131 40 5 KKBBLN O=C1S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106740500 571417111 /nfs/dbraw/zinc/41/71/11/571417111.db2.gz SUBOJGJTODFUHE-AUWJEWJLSA-N 0 2 514.151 5.062 40 5 KKBBLN Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150449888 571502153 /nfs/dbraw/zinc/50/21/53/571502153.db2.gz DLKFXFHHWOSJMG-LSQMVHIFSA-N 0 2 652.845 5.015 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563409 572249228 /nfs/dbraw/zinc/24/92/28/572249228.db2.gz AJSSSZJSVGEXLK-JQHZVFBJSA-N 0 2 542.394 5.766 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 ZINC000408563517 572249518 /nfs/dbraw/zinc/24/95/18/572249518.db2.gz AQPJLOZGEKRWCO-YUHKXCSQSA-N 0 2 568.855 5.736 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 ZINC000408563517 572249519 /nfs/dbraw/zinc/24/95/19/572249519.db2.gz AQPJLOZGEKRWCO-YUHKXCSQSA-N 0 2 568.855 5.736 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408563859 572249854 /nfs/dbraw/zinc/24/98/54/572249854.db2.gz BFDUCDPNERUGEN-ZVFGGPEJSA-N 0 2 612.908 6.135 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564396 572250324 /nfs/dbraw/zinc/25/03/24/572250324.db2.gz CMUZECKZIBMNGH-SIJZCSJPSA-N 0 2 612.908 6.135 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564454 572250357 /nfs/dbraw/zinc/25/03/57/572250357.db2.gz CZXSVYHGKARFFI-BBFXTFFKSA-N 0 2 598.881 5.745 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408564755 572250862 /nfs/dbraw/zinc/25/08/62/572250862.db2.gz FTOJUAKUKNNPND-XABOBXATSA-N 0 2 598.881 5.745 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CCCN12 ZINC000408565164 572251734 /nfs/dbraw/zinc/25/17/34/572251734.db2.gz IINLWSMIEMKOHG-TUPPOGIXSA-N 0 2 534.410 5.083 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CCCN12 ZINC000408565164 572251736 /nfs/dbraw/zinc/25/17/36/572251736.db2.gz IINLWSMIEMKOHG-TUPPOGIXSA-N 0 2 534.410 5.083 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565178 572251754 /nfs/dbraw/zinc/25/17/54/572251754.db2.gz INJIZEBSMJNLEB-ZVFGGPEJSA-N 0 2 596.453 5.620 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565089 572251818 /nfs/dbraw/zinc/25/18/18/572251818.db2.gz HQVREXIWAAZWFI-NUWWLQTNSA-N 0 2 633.326 6.398 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565331 572252457 /nfs/dbraw/zinc/25/24/57/572252457.db2.gz JXAPSVIIHRHSQO-SGNYCRIWSA-N 0 2 558.432 5.703 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565655 572252950 /nfs/dbraw/zinc/25/29/50/572252950.db2.gz LQJWUXROMABDOO-NIDLKEISSA-N 0 2 542.817 5.203 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565655 572252951 /nfs/dbraw/zinc/25/29/51/572252951.db2.gz LQJWUXROMABDOO-NIDLKEISSA-N 0 2 542.817 5.203 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566409 572253791 /nfs/dbraw/zinc/25/37/91/572253791.db2.gz NUBKWSFACZTSNB-WQWSHVPRSA-N 0 2 532.811 5.748 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566459 572253798 /nfs/dbraw/zinc/25/37/98/572253798.db2.gz OHUBQQSZSAXIBZ-IPEONRORSA-N 0 2 586.870 5.602 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408567661 572254403 /nfs/dbraw/zinc/25/44/03/572254403.db2.gz QYLMRBRYPSGBRJ-SIJZCSJPSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567661 572254404 /nfs/dbraw/zinc/25/44/04/572254404.db2.gz QYLMRBRYPSGBRJ-SIJZCSJPSA-N 0 2 552.002 5.511 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl ZINC000408568850 572255299 /nfs/dbraw/zinc/25/52/99/572255299.db2.gz UXWZJNMTWLXNEO-RBYFDUNASA-N 0 2 554.430 5.636 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc2ccccc2c1 ZINC000408569418 572255765 /nfs/dbraw/zinc/25/57/65/572255765.db2.gz WQNOBZFFNMFFJY-PXIGIZQUSA-N 0 2 549.627 5.872 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000108423164 1069718439 /nfs/dbraw/zinc/71/84/39/1069718439.db2.gz NGLHBKHTYXSBLV-UHFFFAOYSA-N 0 2 515.957 5.828 40 5 KKBBLN COc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000108423440 1069721326 /nfs/dbraw/zinc/72/13/26/1069721326.db2.gz YMVZGXFRRVNBRJ-UHFFFAOYSA-N 0 2 511.538 5.183 40 5 KKBBLN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733962 1071568995 /nfs/dbraw/zinc/56/89/95/1071568995.db2.gz TVKWIBQZJXKZHC-YVLHRROSSA-N 0 2 723.783 5.851 40 5 KKBBLN CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147465 554036133 /nfs/dbraw/zinc/03/61/33/554036133.db2.gz JSTGVWFTENLIFM-SANMLTNESA-N 0 2 512.522 5.310 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000102835923 555079900 /nfs/dbraw/zinc/07/99/00/555079900.db2.gz CDLQSCLUQYLFRN-VWLOTQADSA-N 0 2 550.402 6.069 40 5 KKBBLN Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000150449881 571502270 /nfs/dbraw/zinc/50/22/70/571502270.db2.gz DLKFXFHHWOSJMG-CUYJMHBOSA-N 0 2 652.845 5.015 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563199 572249003 /nfs/dbraw/zinc/24/90/03/572249003.db2.gz AAUKIXHAHKGDMC-YDOVEJIGSA-N 0 2 542.419 5.493 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563295 572249082 /nfs/dbraw/zinc/24/90/82/572249082.db2.gz AEQLRBGFNFJSML-ATBUFXNFSA-N 0 2 592.490 5.790 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408563416 572249222 /nfs/dbraw/zinc/24/92/22/572249222.db2.gz AJSSSZJSVGEXLK-LADVCJOISA-N 0 2 542.394 5.766 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563384 572249301 /nfs/dbraw/zinc/24/93/01/572249301.db2.gz AHHGCINZZXOTEL-ZVFGGPEJSA-N 0 2 578.463 5.400 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563422 572249306 /nfs/dbraw/zinc/24/93/06/572249306.db2.gz AJSSSZJSVGEXLK-UUNMANHLSA-N 0 2 542.394 5.766 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563945 572250178 /nfs/dbraw/zinc/25/01/78/572250178.db2.gz BSKBDHALUBVRIJ-DNKZPPIMSA-N 0 2 631.321 5.711 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408564951 572251178 /nfs/dbraw/zinc/25/11/78/572251178.db2.gz GTWVSJORXOCCFF-IPEONRORSA-N 0 2 570.415 5.088 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564929 572251196 /nfs/dbraw/zinc/25/11/96/572251196.db2.gz GMCTUMQBNQZORO-STNVRERYSA-N 0 2 542.419 5.493 40 5 KKBBLN Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 ZINC000408565009 572251448 /nfs/dbraw/zinc/25/14/48/572251448.db2.gz HCAQSLFQIVOPEH-IWEUKVTLSA-N 0 2 548.437 5.391 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408565187 572251785 /nfs/dbraw/zinc/25/17/85/572251785.db2.gz ITOVNRQMLIFZIK-BBFXTFFKSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565187 572251788 /nfs/dbraw/zinc/25/17/88/572251788.db2.gz ITOVNRQMLIFZIK-BBFXTFFKSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565088 572251840 /nfs/dbraw/zinc/25/18/40/572251840.db2.gz HQVREXIWAAZWFI-BQGAEBSMSA-N 0 2 633.326 6.398 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565419 572252655 /nfs/dbraw/zinc/25/26/55/572252655.db2.gz KQFOKNTZAAFJTR-BBFXTFFKSA-N 0 2 598.881 5.745 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565675 572253033 /nfs/dbraw/zinc/25/30/33/572253033.db2.gz LRILBXPHHMEHSC-SIJZCSJPSA-N 0 2 578.463 5.481 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408565672 572253068 /nfs/dbraw/zinc/25/30/68/572253068.db2.gz LRILBXPHHMEHSC-OCAOGGMISA-N 0 2 578.463 5.481 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc2ccccc21 ZINC000408566028 572253306 /nfs/dbraw/zinc/25/33/06/572253306.db2.gz MQWCVMJOXWZOLR-VMXNJRLGSA-N 0 2 535.600 5.482 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc2ccccc21 ZINC000408566026 572253340 /nfs/dbraw/zinc/25/33/40/572253340.db2.gz MQWCVMJOXWZOLR-NBQQIJHXSA-N 0 2 535.600 5.482 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408566460 572253693 /nfs/dbraw/zinc/25/36/93/572253693.db2.gz OHUBQQSZSAXIBZ-OTGIWPJISA-N 0 2 586.870 5.602 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566435 572253705 /nfs/dbraw/zinc/25/37/05/572253705.db2.gz NYNLGKOHGTUJJM-OYMMJLNRSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408566455 572253756 /nfs/dbraw/zinc/25/37/56/572253756.db2.gz OHLYPPZXWRYHCY-BBFXTFFKSA-N 0 2 582.426 5.230 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566406 572253758 /nfs/dbraw/zinc/25/37/58/572253758.db2.gz NUBKWSFACZTSNB-HGMMTPDKSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408566730 572253832 /nfs/dbraw/zinc/25/38/32/572253832.db2.gz OONRZHYQZMFTJQ-BQGAEBSMSA-N 0 2 582.426 5.230 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc2ccccc21 ZINC000408566818 572254022 /nfs/dbraw/zinc/25/40/22/572254022.db2.gz OYWXSGZYCTZSON-SYUNVOKESA-N 0 2 614.496 6.244 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408567098 572254162 /nfs/dbraw/zinc/25/41/62/572254162.db2.gz PRACVQBCOJXTSN-LADVCJOISA-N 0 2 558.849 6.280 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567193 572254250 /nfs/dbraw/zinc/25/42/50/572254250.db2.gz QFSSJCVREVNINJ-ZVFGGPEJSA-N 0 2 647.353 6.788 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567250 572254293 /nfs/dbraw/zinc/25/42/93/572254293.db2.gz QNFPHUBHZDBAOU-NLRIEGLYSA-N 0 2 528.392 5.103 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 ZINC000408567228 572254344 /nfs/dbraw/zinc/25/43/44/572254344.db2.gz QJXNRKJILOFDGJ-YUHKXCSQSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 ZINC000408567228 572254345 /nfs/dbraw/zinc/25/43/45/572254345.db2.gz QJXNRKJILOFDGJ-YUHKXCSQSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 ZINC000408567222 572254364 /nfs/dbraw/zinc/25/43/64/572254364.db2.gz QJXNRKJILOFDGJ-AWTIUKJOSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 ZINC000408567222 572254365 /nfs/dbraw/zinc/25/43/65/572254365.db2.gz QJXNRKJILOFDGJ-AWTIUKJOSA-N 0 2 603.300 6.389 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567821 572254542 /nfs/dbraw/zinc/25/45/42/572254542.db2.gz RMOPCJFNFZEDKC-ZUIZJCIVSA-N 0 2 621.315 6.256 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567841 572254548 /nfs/dbraw/zinc/25/45/48/572254548.db2.gz RWTQFOJXPRQGPQ-YDOVEJIGSA-N 0 2 570.415 5.088 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567820 572254612 /nfs/dbraw/zinc/25/46/12/572254612.db2.gz RMOPCJFNFZEDKC-VRKGNZAUSA-N 0 2 621.315 6.256 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568138 572254718 /nfs/dbraw/zinc/25/47/18/572254718.db2.gz SCBHTRMFYAZXOZ-TUPPOGIXSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568138 572254720 /nfs/dbraw/zinc/25/47/20/572254720.db2.gz SCBHTRMFYAZXOZ-TUPPOGIXSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408568358 572254903 /nfs/dbraw/zinc/25/49/03/572254903.db2.gz TYULBJYLDBUPFK-YUHKXCSQSA-N 0 2 524.404 5.627 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568973 572255474 /nfs/dbraw/zinc/25/54/74/572255474.db2.gz VKWBWWDUBRLMOB-TUPPOGIXSA-N 0 2 524.404 5.627 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569651 572255815 /nfs/dbraw/zinc/25/58/15/572255815.db2.gz WVAUIZVNECPLKQ-AWTIUKJOSA-N 0 2 507.949 5.113 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569698 572255819 /nfs/dbraw/zinc/25/58/19/572255819.db2.gz XBHZZJDLEQBYCL-GJECAEJISA-N 0 2 572.843 5.212 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1 ZINC000408569668 572255901 /nfs/dbraw/zinc/25/59/01/572255901.db2.gz WVLJCIFXNVIRDM-DTOIDXSMSA-N 0 2 548.437 5.391 40 5 KKBBLN Cc1ccc(COc2ccc(Br)cc2[C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1 ZINC000408569668 572255902 /nfs/dbraw/zinc/25/59/02/572255902.db2.gz WVLJCIFXNVIRDM-DTOIDXSMSA-N 0 2 548.437 5.391 40 5 KKBBLN COc1cc(=O)c2c(O)c(OC)c(C[C@@H](C)OC(=O)Oc3ccc(O)cc3)c3c4c(C[C@H](C)OC(=O)c5ccccc5)c(OC)c(O)c5c(=O)cc(OC)c(c1c23)c54 ZINC000085481764 1069680775 /nfs/dbraw/zinc/68/07/75/1069680775.db2.gz LSUTUUOITDQYNO-LEWJYISDSA-N 0 2 790.774 6.981 40 5 KKBBLN CCc1ccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000108423170 1069718493 /nfs/dbraw/zinc/71/84/93/1069718493.db2.gz HCOAGXZBQIDWPZ-UHFFFAOYSA-N 0 2 509.566 5.737 40 5 KKBBLN CCOc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000409368589 1070892477 /nfs/dbraw/zinc/89/24/77/1070892477.db2.gz DADPKDRGKOHFAB-UHFFFAOYSA-N 0 2 541.564 5.688 40 5 KKBBLN CCOc1cc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408984753 1071505253 /nfs/dbraw/zinc/50/52/53/1071505253.db2.gz JVVRCNKVZDXFJE-UHFFFAOYSA-N 0 2 645.672 6.792 40 5 KKBBLN COc1ccc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000409367636 1072669973 /nfs/dbraw/zinc/66/99/73/1072669973.db2.gz GSPAMZYYNSOUOM-UHFFFAOYSA-N 0 2 511.538 5.592 40 5 KKBBLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc([N+](=O)[O-])cc5)cc4c3c2)cc1 ZINC000005942052 552514424 /nfs/dbraw/zinc/51/44/24/552514424.db2.gz GOKCSDKPBISOCO-UHFFFAOYSA-N 0 2 568.545 5.004 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000016292779 553559201 /nfs/dbraw/zinc/55/92/01/553559201.db2.gz IZAQEVNAVAZTDD-ZVBBVAIHSA-N 0 2 509.566 5.373 40 5 KKBBLN CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147459 554036093 /nfs/dbraw/zinc/03/60/93/554036093.db2.gz ZZRCKEOUYOLDIC-AREMUKBSSA-N 0 2 512.522 5.310 40 5 KKBBLN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C(O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 ZINC000103554061 555445478 /nfs/dbraw/zinc/44/54/78/555445478.db2.gz PPCVFMUUBPASDY-NAQGONTDSA-N 0 2 561.619 5.903 40 5 KKBBLN Cc1cc([N+](=O)[O-])ccc1Nc1nc(Nc2ccc([N+](=O)[O-])cc2C)[nH]c(=NN2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)n1 ZINC000150347791 571460885 /nfs/dbraw/zinc/46/08/85/571460885.db2.gz KHGIRFAMLGMNNJ-TURZUDJPSA-N 0 2 642.636 6.449 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408563196 572248997 /nfs/dbraw/zinc/24/89/97/572248997.db2.gz AAUKIXHAHKGDMC-BYGVMDBSSA-N 0 2 542.419 5.493 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408563528 572249476 /nfs/dbraw/zinc/24/94/76/572249476.db2.gz AVSNPSNAEHNNAN-WQWSHVPRSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408563528 572249479 /nfs/dbraw/zinc/24/94/79/572249479.db2.gz AVSNPSNAEHNNAN-WQWSHVPRSA-N 0 2 577.262 5.857 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563866 572249867 /nfs/dbraw/zinc/24/98/67/572249867.db2.gz BFRQKFBLGRCHLM-ZNCVFPSASA-N 0 2 617.294 5.321 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564419 572250318 /nfs/dbraw/zinc/25/03/18/572250318.db2.gz CTDOVUNHQADOIB-XABOBXATSA-N 0 2 633.326 6.398 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564690 572250622 /nfs/dbraw/zinc/25/06/22/572250622.db2.gz DPTRSPVAGUNNEY-OYMMJLNRSA-N 0 2 516.356 5.233 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564689 572250641 /nfs/dbraw/zinc/25/06/41/572250641.db2.gz DPTRSPVAGUNNEY-KITIHOALSA-N 0 2 516.356 5.233 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564918 572251227 /nfs/dbraw/zinc/25/12/27/572251227.db2.gz GLAVBDWTEHOVSO-LAMXGVLKSA-N 0 2 516.356 5.233 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408564952 572251439 /nfs/dbraw/zinc/25/14/39/572251439.db2.gz GTWVSJORXOCCFF-OTGIWPJISA-N 0 2 570.415 5.088 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564956 572251516 /nfs/dbraw/zinc/25/15/16/572251516.db2.gz GUOFDSZWBGIMJQ-HGMMTPDKSA-N 0 2 516.356 5.233 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565361 572252401 /nfs/dbraw/zinc/25/24/01/572252401.db2.gz JXAPSVIIHRHSQO-XRHWURSXSA-N 0 2 558.432 5.703 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565446 572252687 /nfs/dbraw/zinc/25/26/87/572252687.db2.gz KTNWDKGOXZTCTO-OCAOGGMISA-N 0 2 612.908 6.135 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408565513 572252756 /nfs/dbraw/zinc/25/27/56/572252756.db2.gz LFSJWGRUDUUOOB-IPEONRORSA-N 0 2 621.315 6.256 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565659 572252905 /nfs/dbraw/zinc/25/29/05/572252905.db2.gz LQJWUXROMABDOO-VPHKFGTKSA-N 0 2 542.817 5.203 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565659 572252907 /nfs/dbraw/zinc/25/29/07/572252907.db2.gz LQJWUXROMABDOO-VPHKFGTKSA-N 0 2 542.817 5.203 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565665 572253028 /nfs/dbraw/zinc/25/30/28/572253028.db2.gz LRFPMOMNMOKXBZ-GJECAEJISA-N 0 2 572.843 5.212 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565947 572253286 /nfs/dbraw/zinc/25/32/86/572253286.db2.gz MFXHSAQDBFLVRR-BBFXTFFKSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408565947 572253288 /nfs/dbraw/zinc/25/32/88/572253288.db2.gz MFXHSAQDBFLVRR-BBFXTFFKSA-N 0 2 537.975 5.121 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566408 572253685 /nfs/dbraw/zinc/25/36/85/572253685.db2.gz NUBKWSFACZTSNB-LAMXGVLKSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567749 572254384 /nfs/dbraw/zinc/25/43/84/572254384.db2.gz REOKDBYHPCJROB-JRWZBITLSA-N 0 2 607.288 5.865 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567707 572254402 /nfs/dbraw/zinc/25/44/02/572254402.db2.gz QZFQBPAENLKNNS-BYGVMDBSSA-N 0 2 542.419 5.493 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1F ZINC000408567823 572254555 /nfs/dbraw/zinc/25/45/55/572254555.db2.gz RNTMZVKLRXEXAA-OCAOGGMISA-N 0 2 596.453 5.620 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567818 572254563 /nfs/dbraw/zinc/25/45/63/572254563.db2.gz RMOPCJFNFZEDKC-CCXQXCJASA-N 0 2 621.315 6.256 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568413 572255071 /nfs/dbraw/zinc/25/50/71/572255071.db2.gz UJPQYLSOYXQWOL-BYGVMDBSSA-N 0 2 586.870 5.602 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568414 572255083 /nfs/dbraw/zinc/25/50/83/572255083.db2.gz UJPQYLSOYXQWOL-DNKZPPIMSA-N 0 2 586.870 5.602 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568970 572255495 /nfs/dbraw/zinc/25/54/95/572255495.db2.gz VKWBWWDUBRLMOB-AWTIUKJOSA-N 0 2 524.404 5.627 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568978 572255534 /nfs/dbraw/zinc/25/55/34/572255534.db2.gz VKWBWWDUBRLMOB-YUHKXCSQSA-N 0 2 524.404 5.627 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000248150119 572255607 /nfs/dbraw/zinc/25/56/07/572255607.db2.gz JJFZXDSDHSNMCQ-WLNZHLEZSA-N 0 2 537.620 5.990 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408569404 572255642 /nfs/dbraw/zinc/25/56/42/572255642.db2.gz WOXJJSKQUSKMCC-RJPUKIMISA-N 0 2 584.470 6.236 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc2ccccc2c1 ZINC000408569416 572255760 /nfs/dbraw/zinc/25/57/60/572255760.db2.gz WQNOBZFFNMFFJY-LKPITPCFSA-N 0 2 549.627 5.872 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569697 572255907 /nfs/dbraw/zinc/25/59/07/572255907.db2.gz XBHZZJDLEQBYCL-FODJJAHYSA-N 0 2 572.843 5.212 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408569722 572256059 /nfs/dbraw/zinc/25/60/59/572256059.db2.gz XFSQESMZCHQCEK-BQGAEBSMSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408569722 572256060 /nfs/dbraw/zinc/25/60/60/572256060.db2.gz XFSQESMZCHQCEK-BQGAEBSMSA-N 0 2 537.975 5.121 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570207 572256326 /nfs/dbraw/zinc/25/63/26/572256326.db2.gz ZVRLTIVRHNKMON-BYGVMDBSSA-N 0 2 586.870 5.602 40 5 KKBBLN CCCOc1c2cccc1Cc1cc([N+](=O)[O-])cc(c1O)Cc1cccc(c1OCCC)Cc1cc(C=O)cc(c1O)C2 ZINC000409421908 1069814000 /nfs/dbraw/zinc/81/40/00/1069814000.db2.gz IZGWXTYUWQNBNT-UHFFFAOYSA-N 0 2 581.665 7.073 40 5 KKBBLN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000409336779 1070857857 /nfs/dbraw/zinc/85/78/57/1070857857.db2.gz VUXQQMKJOVDZFM-ZYDFGXJWSA-N 0 2 703.365 5.506 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369611 1072657341 /nfs/dbraw/zinc/65/73/41/1072657341.db2.gz RFIIISFGLSHIRZ-UHFFFAOYSA-N 0 2 582.016 7.497 40 5 KKBBLN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c(Br)cc(Br)cc2Br)c(C(F)(F)F)c1 ZINC000077287176 553658714 /nfs/dbraw/zinc/65/87/14/553658714.db2.gz INVHIPJJDSPNJY-UHFFFAOYSA-N 0 2 563.906 6.553 40 5 in-vitro KKBBLN CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147463 554036039 /nfs/dbraw/zinc/03/60/39/554036039.db2.gz JSTGVWFTENLIFM-AREMUKBSSA-N 0 2 512.522 5.310 40 5 KKBBLN CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147461 554036017 /nfs/dbraw/zinc/03/60/17/554036017.db2.gz ZZRCKEOUYOLDIC-SANMLTNESA-N 0 2 512.522 5.310 40 5 KKBBLN Cc1[nH]n(-c2ccccc2Cl)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2Cl)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000101530058 554794560 /nfs/dbraw/zinc/79/45/60/554794560.db2.gz FNLFHYJLGQRFBY-VWLOTQADSA-N 0 2 566.401 5.775 40 5 KKBBLN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)cc2Br ZINC000101696829 554831264 /nfs/dbraw/zinc/83/12/64/554831264.db2.gz XSDQFUJLSZLRRW-UHFFFAOYSA-N 0 2 517.741 5.043 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(-c3ccc([N+](=O)[O-])cc3)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000221965543 571604511 /nfs/dbraw/zinc/60/45/11/571604511.db2.gz YRGNNBWEALFYLI-AAYZJPSRSA-N 0 2 625.645 5.410 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563372 572249260 /nfs/dbraw/zinc/24/92/60/572249260.db2.gz AHHGCINZZXOTEL-OCAOGGMISA-N 0 2 578.463 5.400 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@@H]1CCCN12 ZINC000408563488 572249385 /nfs/dbraw/zinc/24/93/85/572249385.db2.gz AMIPZIVFUINWHG-UQBYDPJISA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@@H]1CCCN12 ZINC000408563488 572249387 /nfs/dbraw/zinc/24/93/87/572249387.db2.gz AMIPZIVFUINWHG-UQBYDPJISA-N 0 2 552.400 5.222 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408563526 572249465 /nfs/dbraw/zinc/24/94/65/572249465.db2.gz AVSNPSNAEHNNAN-HGMMTPDKSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408563526 572249467 /nfs/dbraw/zinc/24/94/67/572249467.db2.gz AVSNPSNAEHNNAN-HGMMTPDKSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564688 572250628 /nfs/dbraw/zinc/25/06/28/572250628.db2.gz DPTRSPVAGUNNEY-IUUIHGGBSA-N 0 2 516.356 5.233 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565401 572252592 /nfs/dbraw/zinc/25/25/92/572252592.db2.gz KHPWUVNCUSGBDS-UQBYDPJISA-N 0 2 507.949 5.113 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565443 572252634 /nfs/dbraw/zinc/25/26/34/572252634.db2.gz KTNWDKGOXZTCTO-KLPDMWAPSA-N 0 2 612.908 6.135 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565504 572252819 /nfs/dbraw/zinc/25/28/19/572252819.db2.gz LAHAGXJDTNRDCM-JQHZVFBJSA-N 0 2 558.849 6.280 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408565701 572253083 /nfs/dbraw/zinc/25/30/83/572253083.db2.gz LTIXNVKCZXXZOM-BBFXTFFKSA-N 0 2 582.426 5.230 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000248099042 572253548 /nfs/dbraw/zinc/25/35/48/572253548.db2.gz IZAQEVNAVAZTDD-UQWUFBTJSA-N 0 2 509.566 5.373 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408566804 572254005 /nfs/dbraw/zinc/25/40/05/572254005.db2.gz OTSAWQZRBMEOAX-UUNMANHLSA-N 0 2 542.394 5.766 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408566799 572254025 /nfs/dbraw/zinc/25/40/25/572254025.db2.gz OTSAWQZRBMEOAX-JQHZVFBJSA-N 0 2 542.394 5.766 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568140 572254671 /nfs/dbraw/zinc/25/46/71/572254671.db2.gz SCBHTRMFYAZXOZ-UQBYDPJISA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408568140 572254672 /nfs/dbraw/zinc/25/46/72/572254672.db2.gz SCBHTRMFYAZXOZ-UQBYDPJISA-N 0 2 603.300 6.389 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408568382 572255074 /nfs/dbraw/zinc/25/50/74/572255074.db2.gz UFAKGGMKOWJYIE-NUWWLQTNSA-N 0 2 564.436 5.091 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@@H]1CCCN12 ZINC000408568771 572255213 /nfs/dbraw/zinc/25/52/13/572255213.db2.gz ULMQALLGCCRQCF-RIOMWJCISA-N 0 2 584.470 6.236 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408568949 572255333 /nfs/dbraw/zinc/25/53/33/572255333.db2.gz VIYXEUARRWREKR-USCUKXROSA-N 0 2 534.012 5.372 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408568863 572255344 /nfs/dbraw/zinc/25/53/44/572255344.db2.gz VCQIEFCWRHDVQY-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569371 572255587 /nfs/dbraw/zinc/25/55/87/572255587.db2.gz WAMXTKBVJLBQHR-UQBYDPJISA-N 0 2 558.849 6.280 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Br)cc1 ZINC000408569684 572255898 /nfs/dbraw/zinc/25/58/98/572255898.db2.gz WYIHDXKOVYLVJR-HSWHJCFASA-N 0 2 564.436 5.091 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408569723 572256073 /nfs/dbraw/zinc/25/60/73/572256073.db2.gz XFSQESMZCHQCEK-NUWWLQTNSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408569723 572256074 /nfs/dbraw/zinc/25/60/74/572256074.db2.gz XFSQESMZCHQCEK-NUWWLQTNSA-N 0 2 537.975 5.121 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570085 572256300 /nfs/dbraw/zinc/25/63/00/572256300.db2.gz YPZGQUQWXDXXLP-DPQOWFAMSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408570085 572256302 /nfs/dbraw/zinc/25/63/02/572256302.db2.gz YPZGQUQWXDXXLP-DPQOWFAMSA-N 0 2 577.262 5.857 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408570210 572256313 /nfs/dbraw/zinc/25/63/13/572256313.db2.gz ZVRLTIVRHNKMON-DNKZPPIMSA-N 0 2 586.870 5.602 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409371137 1070894777 /nfs/dbraw/zinc/89/47/77/1070894777.db2.gz FQTHXSOIMCRCNA-UHFFFAOYSA-N 0 2 666.532 7.925 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000409373186 1072642937 /nfs/dbraw/zinc/64/29/37/1072642937.db2.gz SBFWKZSDQDDKGY-UHFFFAOYSA-N 0 2 618.606 7.284 40 5 KKBBLN COc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409367549 1072668835 /nfs/dbraw/zinc/66/88/35/1072668835.db2.gz FDPLADIRKVNNJX-UHFFFAOYSA-N 0 2 617.662 7.171 40 5 KKBBLN COc1ccc(-c2ccc(C(c3c(=O)[nH][nH]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000409367810 1072668884 /nfs/dbraw/zinc/66/88/84/1072668884.db2.gz LMZVNHLXWPHVRE-UHFFFAOYSA-N 0 2 577.597 6.852 40 5 KKBBLN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000009056909 553204400 /nfs/dbraw/zinc/20/44/00/553204400.db2.gz WPNMLYCBXHCSDQ-UHFFFAOYSA-N 0 2 500.747 5.608 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000016292778 553559213 /nfs/dbraw/zinc/55/92/13/553559213.db2.gz IZAQEVNAVAZTDD-UIOOFZCWSA-N 0 2 509.566 5.373 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408563378 572249243 /nfs/dbraw/zinc/24/92/43/572249243.db2.gz AHHGCINZZXOTEL-SIJZCSJPSA-N 0 2 578.463 5.400 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 ZINC000408563516 572249495 /nfs/dbraw/zinc/24/94/95/572249495.db2.gz AQPJLOZGEKRWCO-UQBYDPJISA-N 0 2 568.855 5.736 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 ZINC000408563516 572249496 /nfs/dbraw/zinc/24/94/96/572249496.db2.gz AQPJLOZGEKRWCO-UQBYDPJISA-N 0 2 568.855 5.736 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408563842 572249759 /nfs/dbraw/zinc/24/97/59/572249759.db2.gz BDEIMUKMDCZMHZ-TUPPOGIXSA-N 0 2 568.855 5.736 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408564026 572250085 /nfs/dbraw/zinc/25/00/85/572250085.db2.gz CBHVFFWHQSHPTG-QLZDYINWSA-N 0 2 523.589 5.339 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408564020 572250163 /nfs/dbraw/zinc/25/01/63/572250163.db2.gz CBHVFFWHQSHPTG-LHJUMPSXSA-N 0 2 523.589 5.339 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564429 572250470 /nfs/dbraw/zinc/25/04/70/572250470.db2.gz CUAYVHXHPPZODH-HTZSSYRZSA-N 0 2 568.457 6.026 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564676 572250646 /nfs/dbraw/zinc/25/06/46/572250646.db2.gz DNYQAEBHAAGYHV-CNBSGPCYSA-N 0 2 528.392 5.103 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564674 572250697 /nfs/dbraw/zinc/25/06/97/572250697.db2.gz DNYQAEBHAAGYHV-BQVXCWBNSA-N 0 2 528.392 5.103 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564917 572251222 /nfs/dbraw/zinc/25/12/22/572251222.db2.gz GLAVBDWTEHOVSO-HGMMTPDKSA-N 0 2 516.356 5.233 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl ZINC000408564882 572251303 /nfs/dbraw/zinc/25/13/03/572251303.db2.gz GFWQCQPZUNNVOM-DEEGFUGBSA-N 0 2 568.457 6.026 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408565117 572251740 /nfs/dbraw/zinc/25/17/40/572251740.db2.gz HRRTWHCUNGTENZ-OCAOGGMISA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408565117 572251742 /nfs/dbraw/zinc/25/17/42/572251742.db2.gz HRRTWHCUNGTENZ-OCAOGGMISA-N 0 2 552.002 5.511 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565329 572252490 /nfs/dbraw/zinc/25/24/90/572252490.db2.gz JXAPSVIIHRHSQO-RVBRUHEGSA-N 0 2 558.432 5.703 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565508 572252737 /nfs/dbraw/zinc/25/27/37/572252737.db2.gz LAHAGXJDTNRDCM-UUNMANHLSA-N 0 2 558.849 6.280 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565502 572252843 /nfs/dbraw/zinc/25/28/43/572252843.db2.gz LAHAGXJDTNRDCM-CWWSAELMSA-N 0 2 558.849 6.280 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565708 572253019 /nfs/dbraw/zinc/25/30/19/572253019.db2.gz LTIXNVKCZXXZOM-XABOBXATSA-N 0 2 582.426 5.230 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Br)cc1 ZINC000408565766 572253168 /nfs/dbraw/zinc/25/31/68/572253168.db2.gz MCQILYCHOHJUDX-DEEGFUGBSA-N 0 2 578.463 5.481 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Br)cc1 ZINC000408565770 572253206 /nfs/dbraw/zinc/25/32/06/572253206.db2.gz MCQILYCHOHJUDX-UMDVNSCSSA-N 0 2 578.463 5.481 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408566802 572254078 /nfs/dbraw/zinc/25/40/78/572254078.db2.gz OTSAWQZRBMEOAX-LADVCJOISA-N 0 2 542.394 5.766 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408567719 572254428 /nfs/dbraw/zinc/25/44/28/572254428.db2.gz QZFQBPAENLKNNS-YDOVEJIGSA-N 0 2 542.419 5.493 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567666 572254472 /nfs/dbraw/zinc/25/44/72/572254472.db2.gz QYLMRBRYPSGBRJ-ZVFGGPEJSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408567666 572254473 /nfs/dbraw/zinc/25/44/73/572254473.db2.gz QYLMRBRYPSGBRJ-ZVFGGPEJSA-N 0 2 552.002 5.511 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567822 572254510 /nfs/dbraw/zinc/25/45/10/572254510.db2.gz RNTMZVKLRXEXAA-KLPDMWAPSA-N 0 2 596.453 5.620 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408567809 572254570 /nfs/dbraw/zinc/25/45/70/572254570.db2.gz RJQDBXVIJFBWEO-SGNYCRIWSA-N 0 2 558.432 5.703 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1Cl ZINC000408568337 572254840 /nfs/dbraw/zinc/25/48/40/572254840.db2.gz TWPMLYBKOOEWNA-USCUKXROSA-N 0 2 534.012 5.372 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 ZINC000408568399 572255039 /nfs/dbraw/zinc/25/50/39/572255039.db2.gz UHEFEKKQDLUNOE-CBZDIVBHSA-N 0 2 538.431 5.935 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1F)[C@H]1CCCN12 ZINC000408568788 572255186 /nfs/dbraw/zinc/25/51/86/572255186.db2.gz UPCZNECLBVFRJF-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1F)[C@H]1CCCN12 ZINC000408568788 572255187 /nfs/dbraw/zinc/25/51/87/572255187.db2.gz UPCZNECLBVFRJF-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568828 572255317 /nfs/dbraw/zinc/25/53/17/572255317.db2.gz UUEKCJHSZCJKAC-SIJZCSJPSA-N 0 2 568.457 6.026 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568828 572255318 /nfs/dbraw/zinc/25/53/18/572255318.db2.gz UUEKCJHSZCJKAC-SIJZCSJPSA-N 0 2 568.457 6.026 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569662 572255812 /nfs/dbraw/zinc/25/58/12/572255812.db2.gz WVKBYHNPKMGJDP-OYMMJLNRSA-N 0 2 532.811 5.748 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569653 572255858 /nfs/dbraw/zinc/25/58/58/572255858.db2.gz WVAUIZVNECPLKQ-TUPPOGIXSA-N 0 2 507.949 5.113 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408569721 572256071 /nfs/dbraw/zinc/25/60/71/572256071.db2.gz XFSQESMZCHQCEK-BBFXTFFKSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408569721 572256072 /nfs/dbraw/zinc/25/60/72/572256072.db2.gz XFSQESMZCHQCEK-BBFXTFFKSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408569724 572256075 /nfs/dbraw/zinc/25/60/75/572256075.db2.gz XFSQESMZCHQCEK-XABOBXATSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1F ZINC000408569724 572256076 /nfs/dbraw/zinc/25/60/76/572256076.db2.gz XFSQESMZCHQCEK-XABOBXATSA-N 0 2 537.975 5.121 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 ZINC000408570070 572256229 /nfs/dbraw/zinc/25/62/29/572256229.db2.gz YKSFFEJOWQISHA-LADVCJOISA-N 0 2 542.394 5.766 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 ZINC000408570070 572256230 /nfs/dbraw/zinc/25/62/30/572256230.db2.gz YKSFFEJOWQISHA-LADVCJOISA-N 0 2 542.394 5.766 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000409372544 1072645061 /nfs/dbraw/zinc/64/50/61/1072645061.db2.gz MIAIZIXZFJWBAD-UHFFFAOYSA-N 0 2 525.521 5.312 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369581 1072658535 /nfs/dbraw/zinc/65/85/35/1072658535.db2.gz PRNQONIYNQCXNP-UHFFFAOYSA-N 0 2 626.467 7.606 40 5 KKBBLN CCOc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409369229 1072659758 /nfs/dbraw/zinc/65/97/58/1072659758.db2.gz ILYRKKVEUVQLQC-UHFFFAOYSA-N 0 2 631.689 7.561 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000409368717 1072662003 /nfs/dbraw/zinc/66/20/03/1072662003.db2.gz JLCAXCDSYYPDRV-UHFFFAOYSA-N 0 2 515.957 6.237 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000100930840 554527301 /nfs/dbraw/zinc/52/73/01/554527301.db2.gz JJFZXDSDHSNMCQ-NSOVKSMOSA-N 0 2 537.620 5.990 40 5 KKBBLN O=c1/c(=C\c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000100956983 554539822 /nfs/dbraw/zinc/53/98/22/554539822.db2.gz XWGCVQOWTHEMRH-XOBACGFXSA-N 0 2 594.874 5.348 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(c2c(-c3ccc([N+](=O)[O-])cc3)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000100998676 554551493 /nfs/dbraw/zinc/55/14/93/554551493.db2.gz YRGNNBWEALFYLI-USIGKAAMSA-N 0 2 625.645 5.410 40 5 KKBBLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000102835921 555079989 /nfs/dbraw/zinc/07/99/89/555079989.db2.gz CDLQSCLUQYLFRN-RUZDIDTESA-N 0 2 550.402 6.069 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000104232427 571377593 /nfs/dbraw/zinc/37/75/93/571377593.db2.gz JAJRPBHWGBHNLZ-UHFFFAOYSA-N 0 2 561.598 7.152 40 5 KKBBLN COC(=O)c1ccc(C(c2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000150406676 571479891 /nfs/dbraw/zinc/47/98/91/571479891.db2.gz AEKKVIOERILIPJ-UHFFFAOYSA-N 0 2 708.687 7.586 40 5 KKBBLN COc1cc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000150436889 571496364 /nfs/dbraw/zinc/49/63/64/571496364.db2.gz AZARJFNQYOMLRF-KCHLEUMXSA-N 0 2 644.434 5.636 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(C)cc1 ZINC000408563301 572249031 /nfs/dbraw/zinc/24/90/31/572249031.db2.gz AEQLRBGFNFJSML-GQEWQHDVSA-N 0 2 592.490 5.790 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408563852 572249773 /nfs/dbraw/zinc/24/97/73/572249773.db2.gz BFDUCDPNERUGEN-KLPDMWAPSA-N 0 2 612.908 6.135 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 ZINC000408563882 572249788 /nfs/dbraw/zinc/24/97/88/572249788.db2.gz BJGMEQJJUBCYIQ-TUPPOGIXSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 ZINC000408563882 572249791 /nfs/dbraw/zinc/24/97/91/572249791.db2.gz BJGMEQJJUBCYIQ-TUPPOGIXSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@H]1CCCN12 ZINC000408563886 572249859 /nfs/dbraw/zinc/24/98/59/572249859.db2.gz BJGMEQJJUBCYIQ-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@H]1CCCN12 ZINC000408563886 572249860 /nfs/dbraw/zinc/24/98/60/572249860.db2.gz BJGMEQJJUBCYIQ-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564756 572250812 /nfs/dbraw/zinc/25/08/12/572250812.db2.gz FTZSNZBQWLIBQL-FODJJAHYSA-N 0 2 512.393 5.403 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 ZINC000408564758 572250914 /nfs/dbraw/zinc/25/09/14/572250914.db2.gz FTZSNZBQWLIBQL-SQOVJYTMSA-N 0 2 512.393 5.403 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564927 572251188 /nfs/dbraw/zinc/25/11/88/572251188.db2.gz GMCTUMQBNQZORO-IPEONRORSA-N 0 2 542.419 5.493 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564920 572251208 /nfs/dbraw/zinc/25/12/08/572251208.db2.gz GLAVBDWTEHOVSO-WSNNEZGNSA-N 0 2 516.356 5.233 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564928 572251243 /nfs/dbraw/zinc/25/12/43/572251243.db2.gz GMCTUMQBNQZORO-OTGIWPJISA-N 0 2 542.419 5.493 40 5 KKBBLN Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 ZINC000408565011 572251528 /nfs/dbraw/zinc/25/15/28/572251528.db2.gz HCAQSLFQIVOPEH-JGDRUYDSSA-N 0 2 548.437 5.391 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408565452 572252676 /nfs/dbraw/zinc/25/26/76/572252676.db2.gz KTNWDKGOXZTCTO-ZVFGGPEJSA-N 0 2 612.908 6.135 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565480 572252822 /nfs/dbraw/zinc/25/28/22/572252822.db2.gz KZDXQLBCJWKYMY-SQOVJYTMSA-N 0 2 528.392 5.103 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1Cl ZINC000408565568 572252826 /nfs/dbraw/zinc/25/28/26/572252826.db2.gz LKASHLKONSLWSJ-XABOBXATSA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1Cl ZINC000408565568 572252828 /nfs/dbraw/zinc/25/28/28/572252828.db2.gz LKASHLKONSLWSJ-XABOBXATSA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(F)cc1 ZINC000408565706 572253039 /nfs/dbraw/zinc/25/30/39/572253039.db2.gz LTIXNVKCZXXZOM-NUWWLQTNSA-N 0 2 582.426 5.230 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc2ccccc21 ZINC000408566031 572253255 /nfs/dbraw/zinc/25/32/55/572253255.db2.gz MQWCVMJOXWZOLR-ZCFIMDDYSA-N 0 2 535.600 5.482 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408567101 572254200 /nfs/dbraw/zinc/25/42/00/572254200.db2.gz PRACVQBCOJXTSN-UUNMANHLSA-N 0 2 558.849 6.280 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 ZINC000408567223 572254283 /nfs/dbraw/zinc/25/42/83/572254283.db2.gz QJXNRKJILOFDGJ-TUPPOGIXSA-N 0 2 603.300 6.389 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 ZINC000408567223 572254285 /nfs/dbraw/zinc/25/42/85/572254285.db2.gz QJXNRKJILOFDGJ-TUPPOGIXSA-N 0 2 603.300 6.389 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567242 572254361 /nfs/dbraw/zinc/25/43/61/572254361.db2.gz QNFPHUBHZDBAOU-BQVXCWBNSA-N 0 2 528.392 5.103 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567824 572254594 /nfs/dbraw/zinc/25/45/94/572254594.db2.gz RNTMZVKLRXEXAA-SIJZCSJPSA-N 0 2 596.453 5.620 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408567839 572254598 /nfs/dbraw/zinc/25/45/98/572254598.db2.gz RWTQFOJXPRQGPQ-DNKZPPIMSA-N 0 2 570.415 5.088 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408567810 572254603 /nfs/dbraw/zinc/25/46/03/572254603.db2.gz RJQDBXVIJFBWEO-XRHWURSXSA-N 0 2 558.432 5.703 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc2ccccc21 ZINC000408568324 572254805 /nfs/dbraw/zinc/25/48/05/572254805.db2.gz SYSBFXPQFBKFLD-RCDAXMBGSA-N 0 2 549.627 5.872 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@H]1CCCN12 ZINC000408568230 572254825 /nfs/dbraw/zinc/25/48/25/572254825.db2.gz SMPCYRLBHZXDKQ-YUHKXCSQSA-N 0 2 552.400 5.222 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1 ZINC000408568385 572255022 /nfs/dbraw/zinc/25/50/22/572255022.db2.gz UFAKGGMKOWJYIE-XABOBXATSA-N 0 2 564.436 5.091 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 ZINC000408568396 572255053 /nfs/dbraw/zinc/25/50/53/572255053.db2.gz UHEFEKKQDLUNOE-AFUCOJPPSA-N 0 2 538.431 5.935 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408568380 572255057 /nfs/dbraw/zinc/25/50/57/572255057.db2.gz UFAKGGMKOWJYIE-BQGAEBSMSA-N 0 2 564.436 5.091 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569423 572255758 /nfs/dbraw/zinc/25/57/58/572255758.db2.gz WSKZHHJKSHZXPQ-PKIMSIDOSA-N 0 2 588.458 5.712 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570087 572256285 /nfs/dbraw/zinc/25/62/85/572256285.db2.gz YPZGQUQWXDXXLP-FMNCTDSISA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570087 572256286 /nfs/dbraw/zinc/25/62/86/572256286.db2.gz YPZGQUQWXDXXLP-FMNCTDSISA-N 0 2 577.262 5.857 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 ZINC000408570114 572256323 /nfs/dbraw/zinc/25/63/23/572256323.db2.gz ZDRAXMIFDRZPFH-UQBYDPJISA-N 0 2 507.949 5.113 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 ZINC000408570115 572256362 /nfs/dbraw/zinc/25/63/62/572256362.db2.gz ZDRAXMIFDRZPFH-YUHKXCSQSA-N 0 2 507.949 5.113 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423468 1069721889 /nfs/dbraw/zinc/72/18/89/1069721889.db2.gz VZKHXIAVCDNQBO-UHFFFAOYSA-N 0 2 547.571 6.434 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373441 1072641884 /nfs/dbraw/zinc/64/18/84/1072641884.db2.gz SUXZHRMIRMXXOL-UHFFFAOYSA-N 0 2 582.016 7.497 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369608 1072657361 /nfs/dbraw/zinc/65/73/61/1072657361.db2.gz RCWAREIFKRRGPJ-UHFFFAOYSA-N 0 2 626.467 7.606 40 5 KKBBLN COc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409368408 1072665526 /nfs/dbraw/zinc/66/55/26/1072665526.db2.gz UJBBDBYOKKEOAL-UHFFFAOYSA-N 0 2 743.558 7.775 40 5 KKBBLN CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000409166700 1072702452 /nfs/dbraw/zinc/70/24/52/1072702452.db2.gz GCAVPVYLHAVMJQ-FQEVSTJZSA-N 0 2 567.455 5.077 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000100922635 554522333 /nfs/dbraw/zinc/52/23/33/554522333.db2.gz YJYOGLFWUVHCQS-CLJLJLNGSA-N 0 2 525.565 5.079 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100922638 554522588 /nfs/dbraw/zinc/52/25/88/554522588.db2.gz IHHQXWNDVVPVIP-UIOOFZCWSA-N 0 2 509.566 5.373 40 5 KKBBLN COc1ccc(C(c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000103762230 555471653 /nfs/dbraw/zinc/47/16/53/555471653.db2.gz DDXCIAMTDNNUKT-UHFFFAOYSA-N 0 2 556.535 5.091 40 5 KKBBLN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)sc2=N1 ZINC000104676795 571385232 /nfs/dbraw/zinc/38/52/32/571385232.db2.gz KRNNGZFUIDJGTM-MFUBYVTQSA-N 0 2 614.518 5.078 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@H]1CCCN12 ZINC000408563485 572249182 /nfs/dbraw/zinc/24/91/82/572249182.db2.gz AMIPZIVFUINWHG-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@H]1CCCN12 ZINC000408563485 572249185 /nfs/dbraw/zinc/24/91/85/572249185.db2.gz AMIPZIVFUINWHG-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408563527 572249570 /nfs/dbraw/zinc/24/95/70/572249570.db2.gz AVSNPSNAEHNNAN-LAMXGVLKSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408563527 572249573 /nfs/dbraw/zinc/24/95/73/572249573.db2.gz AVSNPSNAEHNNAN-LAMXGVLKSA-N 0 2 577.262 5.857 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408564458 572250398 /nfs/dbraw/zinc/25/03/98/572250398.db2.gz CZXSVYHGKARFFI-BQGAEBSMSA-N 0 2 598.881 5.745 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564428 572250412 /nfs/dbraw/zinc/25/04/12/572250412.db2.gz CUAYVHXHPPZODH-DEEGFUGBSA-N 0 2 568.457 6.026 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564397 572250443 /nfs/dbraw/zinc/25/04/43/572250443.db2.gz CMUZECKZIBMNGH-ZVFGGPEJSA-N 0 2 612.908 6.135 40 5 KKBBLN CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000408564394 572250474 /nfs/dbraw/zinc/25/04/74/572250474.db2.gz CMUZECKZIBMNGH-KLPDMWAPSA-N 0 2 612.908 6.135 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408564418 572250478 /nfs/dbraw/zinc/25/04/78/572250478.db2.gz CTDOVUNHQADOIB-NUWWLQTNSA-N 0 2 633.326 6.398 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408564430 572250480 /nfs/dbraw/zinc/25/04/80/572250480.db2.gz CUAYVHXHPPZODH-UMDVNSCSSA-N 0 2 568.457 6.026 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccccc1Cl ZINC000408564754 572250926 /nfs/dbraw/zinc/25/09/26/572250926.db2.gz FTOJUAKUKNNPND-NUWWLQTNSA-N 0 2 598.881 5.745 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl ZINC000408564888 572251300 /nfs/dbraw/zinc/25/13/00/572251300.db2.gz GFWQCQPZUNNVOM-UMDVNSCSSA-N 0 2 568.457 6.026 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408565188 572252088 /nfs/dbraw/zinc/25/20/88/572252088.db2.gz ITOVNRQMLIFZIK-BQGAEBSMSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565188 572252090 /nfs/dbraw/zinc/25/20/90/572252090.db2.gz ITOVNRQMLIFZIK-BQGAEBSMSA-N 0 2 537.975 5.121 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3cccc4ccccc43)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565326 572252462 /nfs/dbraw/zinc/25/24/62/572252462.db2.gz JXAPSVIIHRHSQO-KBKXWFDOSA-N 0 2 558.432 5.703 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408565426 572252682 /nfs/dbraw/zinc/25/26/82/572252682.db2.gz KQFOKNTZAAFJTR-XABOBXATSA-N 0 2 598.881 5.745 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1Cl ZINC000408565567 572252729 /nfs/dbraw/zinc/25/27/29/572252729.db2.gz LKASHLKONSLWSJ-NUWWLQTNSA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1Cl ZINC000408565567 572252731 /nfs/dbraw/zinc/25/27/31/572252731.db2.gz LKASHLKONSLWSJ-NUWWLQTNSA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408565566 572252801 /nfs/dbraw/zinc/25/28/01/572252801.db2.gz LKASHLKONSLWSJ-BQGAEBSMSA-N 0 2 554.430 5.636 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccccc1Cl ZINC000408565566 572252803 /nfs/dbraw/zinc/25/28/03/572252803.db2.gz LKASHLKONSLWSJ-BQGAEBSMSA-N 0 2 554.430 5.636 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408565609 572252964 /nfs/dbraw/zinc/25/29/64/572252964.db2.gz LNEGAFYGSOXHAB-IYKJZBSOSA-N 0 2 566.452 5.257 40 5 KKBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408566819 572254066 /nfs/dbraw/zinc/25/40/66/572254066.db2.gz OYWXSGZYCTZSON-YTXOVJPBSA-N 0 2 614.496 6.244 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408567188 572254314 /nfs/dbraw/zinc/25/43/14/572254314.db2.gz QFSSJCVREVNINJ-OCAOGGMISA-N 0 2 647.353 6.788 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408567244 572254354 /nfs/dbraw/zinc/25/43/54/572254354.db2.gz QNFPHUBHZDBAOU-CIHKJSBTSA-N 0 2 528.392 5.103 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567745 572254396 /nfs/dbraw/zinc/25/43/96/572254396.db2.gz REOKDBYHPCJROB-DTNWAODDSA-N 0 2 607.288 5.865 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408567757 572254512 /nfs/dbraw/zinc/25/45/12/572254512.db2.gz REOKDBYHPCJROB-YIOXSFGVSA-N 0 2 607.288 5.865 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408567804 572254515 /nfs/dbraw/zinc/25/45/15/572254515.db2.gz RJQDBXVIJFBWEO-KBKXWFDOSA-N 0 2 558.432 5.703 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408567807 572254608 /nfs/dbraw/zinc/25/46/08/572254608.db2.gz RJQDBXVIJFBWEO-RVBRUHEGSA-N 0 2 558.432 5.703 40 5 KKBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408568176 572254830 /nfs/dbraw/zinc/25/48/30/572254830.db2.gz SGRMJSHLZLWWEK-DVKBMCPXSA-N 0 2 542.817 5.203 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000248134374 572254836 /nfs/dbraw/zinc/25/48/36/572254836.db2.gz YJYOGLFWUVHCQS-UQWUFBTJSA-N 0 2 525.565 5.079 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc2ccccc21 ZINC000408568313 572254837 /nfs/dbraw/zinc/25/48/37/572254837.db2.gz SYSBFXPQFBKFLD-LKPITPCFSA-N 0 2 549.627 5.872 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@H]1CCCN12 ZINC000408568218 572254885 /nfs/dbraw/zinc/25/48/85/572254885.db2.gz SMPCYRLBHZXDKQ-AWTIUKJOSA-N 0 2 552.400 5.222 40 5 KKBBLN Cc1ccc(COc2c(Cl)cc([C@H]3[C@@H]([N+](=O)[O-])[C@@]4(C(=O)Nc5ccccc54)N4CCC[C@@H]34)cc2Cl)cc1 ZINC000408568404 572255045 /nfs/dbraw/zinc/25/50/45/572255045.db2.gz UHEFEKKQDLUNOE-PAXQOXJBSA-N 0 2 538.431 5.935 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc43)c(Br)c1)[C@H]1CCCN12 ZINC000408568441 572255080 /nfs/dbraw/zinc/25/50/80/572255080.db2.gz ULMQALLGCCRQCF-PLPKJQRDSA-N 0 2 584.470 6.236 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568882 572255323 /nfs/dbraw/zinc/25/53/23/572255323.db2.gz VCTDNYRZUARHSV-YUHKXCSQSA-N 0 2 558.849 6.280 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408568944 572255354 /nfs/dbraw/zinc/25/53/54/572255354.db2.gz VIYXEUARRWREKR-HTZSSYRZSA-N 0 2 534.012 5.372 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569372 572255560 /nfs/dbraw/zinc/25/55/60/572255560.db2.gz WAMXTKBVJLBQHR-YUHKXCSQSA-N 0 2 558.849 6.280 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408569424 572255764 /nfs/dbraw/zinc/25/57/64/572255764.db2.gz WSKZHHJKSHZXPQ-UIOOVKKBSA-N 0 2 588.458 5.712 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@H]1CCCN12 ZINC000408569641 572255900 /nfs/dbraw/zinc/25/59/00/572255900.db2.gz WUSXEOSFZLJTND-AWTIUKJOSA-N 0 2 603.300 6.389 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408569703 572255910 /nfs/dbraw/zinc/25/59/10/572255910.db2.gz XBHZZJDLEQBYCL-ZNCVFPSASA-N 0 2 572.843 5.212 40 5 KKBBLN CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569709 572256052 /nfs/dbraw/zinc/25/60/52/572256052.db2.gz XCPBFVVEUNZNFH-WSNNEZGNSA-N 0 2 532.811 5.748 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408570041 572256197 /nfs/dbraw/zinc/25/61/97/572256197.db2.gz YFJGEKLSQGOTNF-CIHKJSBTSA-N 0 2 572.843 5.212 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000108423161 1069718557 /nfs/dbraw/zinc/71/85/57/1069718557.db2.gz JSVWXBNOMMAEME-UHFFFAOYSA-N 0 2 560.408 5.937 40 5 KKBBLN CCOc1cc([N+](=O)[O-])c(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423449 1069721834 /nfs/dbraw/zinc/72/18/34/1069721834.db2.gz HKSHTOWEUKGHBY-UHFFFAOYSA-N 0 2 555.591 5.582 40 5 KKBBLN Cc1ccc(-c2[nH][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409367869 1070891729 /nfs/dbraw/zinc/89/17/29/1070891729.db2.gz MUFDCZDCVZDWGP-UHFFFAOYSA-N 0 2 587.636 7.162 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)[C@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408737381 1071615361 /nfs/dbraw/zinc/61/53/61/1071615361.db2.gz NMBWZBNULBTCGG-DEOSSOPVSA-N 0 2 603.635 6.443 40 5 KKBBLN COc1cc(C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000409368779 1072662577 /nfs/dbraw/zinc/66/25/77/1072662577.db2.gz MCECAABQAQXUEY-UHFFFAOYSA-N 0 2 527.537 5.297 40 5 KKBBLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4C)cc3c2c1 ZINC000005941660 552514112 /nfs/dbraw/zinc/51/41/12/552514112.db2.gz QWQFMBDVRPGCHK-UHFFFAOYSA-N 0 2 596.599 5.621 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000033354879 553931856 /nfs/dbraw/zinc/93/18/56/553931856.db2.gz XUWLGTGIHPXLNS-ULJKERAFSA-N 0 2 537.620 5.990 40 5 KKBBLN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000100922633 554522344 /nfs/dbraw/zinc/52/23/44/554522344.db2.gz YJYOGLFWUVHCQS-UIOOFZCWSA-N 0 2 525.565 5.079 40 5 KKBBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(-c3ccc([N+](=O)[O-])cc3)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000100998678 554551532 /nfs/dbraw/zinc/55/15/32/554551532.db2.gz YRGNNBWEALFYLI-WAINPOFTSA-N 0 2 625.645 5.410 40 5 KKBBLN Cc1[nH]n(-c2ccccc2Cl)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2Cl)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000101530053 554794515 /nfs/dbraw/zinc/79/45/15/554794515.db2.gz FNLFHYJLGQRFBY-RUZDIDTESA-N 0 2 566.401 5.775 40 5 KKBBLN O=C(CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1)Nc1ccc(F)cc1 ZINC000103770939 555474789 /nfs/dbraw/zinc/47/47/89/555474789.db2.gz BGEUEEQWHGUELI-UHFFFAOYSA-N 0 2 585.689 6.415 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000408563949 572250110 /nfs/dbraw/zinc/25/01/10/572250110.db2.gz BSKBDHALUBVRIJ-YDOVEJIGSA-N 0 2 631.321 5.711 40 5 KKBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408564023 572250194 /nfs/dbraw/zinc/25/01/94/572250194.db2.gz CBHVFFWHQSHPTG-PPSCSQRBSA-N 0 2 523.589 5.339 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000408564677 572250721 /nfs/dbraw/zinc/25/07/21/572250721.db2.gz DNYQAEBHAAGYHV-NLRIEGLYSA-N 0 2 528.392 5.103 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408565091 572251914 /nfs/dbraw/zinc/25/19/14/572251914.db2.gz HQVREXIWAAZWFI-XABOBXATSA-N 0 2 633.326 6.398 40 5 KKBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565190 572252074 /nfs/dbraw/zinc/25/20/74/572252074.db2.gz ITOVNRQMLIFZIK-XABOBXATSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565190 572252076 /nfs/dbraw/zinc/25/20/76/572252076.db2.gz ITOVNRQMLIFZIK-XABOBXATSA-N 0 2 537.975 5.121 40 5 KKBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408565477 572252585 /nfs/dbraw/zinc/25/25/85/572252585.db2.gz KZDXQLBCJWKYMY-GJECAEJISA-N 0 2 528.392 5.103 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408566236 572253564 /nfs/dbraw/zinc/25/35/64/572253564.db2.gz NJKRJMDAHKLERR-PBPLDAPSSA-N 0 2 554.430 5.636 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408566315 572253593 /nfs/dbraw/zinc/25/35/93/572253593.db2.gz NLKAPGKJLVSADI-ZVFGGPEJSA-N 0 2 647.353 6.788 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 ZINC000408567092 572254171 /nfs/dbraw/zinc/25/41/71/572254171.db2.gz PRACVQBCOJXTSN-CWWSAELMSA-N 0 2 558.849 6.280 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@H]1CCCN12 ZINC000408568874 572255309 /nfs/dbraw/zinc/25/53/09/572255309.db2.gz VCTDNYRZUARHSV-AWTIUKJOSA-N 0 2 558.849 6.280 40 5 KKBBLN CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568829 572255337 /nfs/dbraw/zinc/25/53/37/572255337.db2.gz UUEKCJHSZCJKAC-ZVFGGPEJSA-N 0 2 568.457 6.026 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408568829 572255338 /nfs/dbraw/zinc/25/53/38/572255338.db2.gz UUEKCJHSZCJKAC-ZVFGGPEJSA-N 0 2 568.457 6.026 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@H]1CCCN12 ZINC000408569402 572255636 /nfs/dbraw/zinc/25/56/36/572255636.db2.gz WOXJJSKQUSKMCC-PLPKJQRDSA-N 0 2 584.470 6.236 40 5 KKBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc2ccccc2c1 ZINC000408569417 572255695 /nfs/dbraw/zinc/25/56/95/572255695.db2.gz WQNOBZFFNMFFJY-ODTBUFRVSA-N 0 2 549.627 5.872 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569657 572255823 /nfs/dbraw/zinc/25/58/23/572255823.db2.gz WVAUIZVNECPLKQ-YUHKXCSQSA-N 0 2 507.949 5.113 40 5 KKBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Br)cc1 ZINC000408569689 572255831 /nfs/dbraw/zinc/25/58/31/572255831.db2.gz WYIHDXKOVYLVJR-RBYFDUNASA-N 0 2 564.436 5.091 40 5 KKBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 ZINC000408570071 572256193 /nfs/dbraw/zinc/25/61/93/572256193.db2.gz YKSFFEJOWQISHA-UUNMANHLSA-N 0 2 542.394 5.766 40 5 KKBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 ZINC000408570071 572256194 /nfs/dbraw/zinc/25/61/94/572256194.db2.gz YKSFFEJOWQISHA-UUNMANHLSA-N 0 2 542.394 5.766 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570086 572256347 /nfs/dbraw/zinc/25/63/47/572256347.db2.gz YPZGQUQWXDXXLP-DVKBMCPXSA-N 0 2 577.262 5.857 40 5 KKBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408570086 572256348 /nfs/dbraw/zinc/25/63/48/572256348.db2.gz YPZGQUQWXDXXLP-DVKBMCPXSA-N 0 2 577.262 5.857 40 5 KKBBLN