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/nfs/dbraw/zinc/16/29/04/209162904.db2.gz FMKQJITWDFZVKY-CQSZACIVSA-N 0 0 355.416 0.877 10 5 FCBERN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000373972976 217080105 /nfs/dbraw/zinc/08/01/05/217080105.db2.gz OJKHJIGPOUKDMH-YUELXQCFSA-N 0 0 374.353 0.204 10 5 FCBERN COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000374146002 217101046 /nfs/dbraw/zinc/10/10/46/217101046.db2.gz VHSXEDGLIGBUIE-UMNHJUIQSA-N 0 0 369.399 0.891 10 5 FCBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374144869 217101485 /nfs/dbraw/zinc/10/14/85/217101485.db2.gz OLQVFMGGENMQSE-UMNHJUIQSA-N 0 0 369.399 0.891 10 5 FCBERN O=C([O-])[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275042594 211953049 /nfs/dbraw/zinc/95/30/49/211953049.db2.gz VRFBYFKEZMWJFS-CYBMUJFWSA-N 0 0 357.388 0.812 10 5 FCBERN NC(=O)c1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000374573217 217144586 /nfs/dbraw/zinc/14/45/86/217144586.db2.gz YQTDRVAHORJIFO-UHFFFAOYSA-N 0 0 368.415 0.698 10 5 FCBERN O=C([O-])[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000274928722 211932033 /nfs/dbraw/zinc/93/20/33/211932033.db2.gz COLQAZIDGYVXQI-ZDUSSCGKSA-N 0 0 371.415 0.953 10 5 FCBERN Nc1c(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000374748613 217166248 /nfs/dbraw/zinc/16/62/48/217166248.db2.gz IRTHMOIOPRYKFQ-UHFFFAOYSA-N 0 0 368.415 0.863 10 5 FCBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374767677 217170564 /nfs/dbraw/zinc/17/05/64/217170564.db2.gz YHSWPEYGEQTYLL-UHFFFAOYSA-N 0 0 368.415 0.938 10 5 FCBERN NS(=O)(=O)c1cccc(N2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000183928508 209153845 /nfs/dbraw/zinc/15/38/45/209153845.db2.gz VQQJSBJNKOTEIL-SNVBAGLBSA-N 0 0 355.294 0.746 10 5 FCBERN O=C(CN1CCN2CCOC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000375243008 217238457 /nfs/dbraw/zinc/23/84/57/217238457.db2.gz SRYMHIIFFXQKSI-LLVKDONJSA-N 0 0 364.358 0.278 10 5 FCBERN C[C@@]1(O)C[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000416275325 245555130 /nfs/dbraw/zinc/55/51/30/245555130.db2.gz HYKLKOZHIVWTMI-WJONMLJTSA-N 0 0 357.388 0.293 10 5 FCBERN O=C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCN1 ZINC000274427476 211845005 /nfs/dbraw/zinc/84/50/05/211845005.db2.gz ZFWOSCQCLKVKLO-UHFFFAOYSA-N 0 0 350.356 0.654 10 5 FCBERN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCc2cc[nH]c(=O)c2C1 ZINC000375982498 217341893 /nfs/dbraw/zinc/34/18/93/217341893.db2.gz ZOKNIXGYCDXUEK-UHFFFAOYSA-N 0 0 350.356 0.906 10 5 FCBERN C[C@@H]1CC[C@@H](O)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422008473 246720575 /nfs/dbraw/zinc/72/05/75/246720575.db2.gz OAPLOPPOUPQKSM-DGCLKSJQSA-N 0 0 371.415 0.635 10 5 FCBERN CCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000425018194 247285996 /nfs/dbraw/zinc/28/59/96/247285996.db2.gz KKYABVQSYXYYOI-UHFFFAOYSA-N 0 0 364.358 0.372 10 5 FCBERN CCNC(=O)N1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000272585371 211570380 /nfs/dbraw/zinc/57/03/80/211570380.db2.gz ZCAZQGBZILXPSF-ZDUSSCGKSA-N 0 0 370.431 0.861 10 5 FCBERN CCOC(=O)c1cc(N2CC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000425228695 247308236 /nfs/dbraw/zinc/30/82/36/247308236.db2.gz PHSKVRDPNRKSSF-JTQLQIEISA-N 0 0 357.388 0.899 10 5 FCBERN Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408336385 217765152 /nfs/dbraw/zinc/76/51/52/217765152.db2.gz NLOOHVZAIUJDCN-STQMWFEESA-N 0 0 355.416 0.915 10 5 FCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000426126548 247437170 /nfs/dbraw/zinc/43/71/70/247437170.db2.gz FONZQUVVJJYXIK-INIZCTEOSA-N 0 0 363.349 0.779 10 5 FCBERN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427332633 247515306 /nfs/dbraw/zinc/51/53/06/247515306.db2.gz WHGQBIDJKOTMKC-QWRGUYRKSA-N 0 0 354.363 0.994 10 5 FCBERN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000427628103 247536500 /nfs/dbraw/zinc/53/65/00/247536500.db2.gz GAAIYCRBQKICGN-LLVKDONJSA-N 0 0 373.435 0.002 10 5 FCBERN C[C@@H]1COCC[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000432559565 247820604 /nfs/dbraw/zinc/82/06/04/247820604.db2.gz VRQIZECYOJHUMQ-RISCZKNCSA-N 0 0 371.415 0.804 10 5 FCBERN Cc1cc(OCC(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] ZINC000435706219 248014458 /nfs/dbraw/zinc/01/44/58/248014458.db2.gz NDVQRVPDKZCUOI-NSHDSACASA-N 0 0 357.388 0.562 10 5 FCBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C(=O)OC)C1 ZINC000439703290 248139169 /nfs/dbraw/zinc/13/91/69/248139169.db2.gz CUIWYJDHNZRWED-SNVBAGLBSA-N 0 0 365.342 0.954 10 5 FCBERN CN1CCN(C(=O)CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443689746 248336373 /nfs/dbraw/zinc/33/63/73/248336373.db2.gz BQIZGKACPIHLFA-UHFFFAOYSA-N 0 0 370.431 0.178 10 5 FCBERN CCNC(=O)C1CN(C(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000443602203 248333288 /nfs/dbraw/zinc/33/32/88/248333288.db2.gz JEQFQJKZPGKDSC-NSHDSACASA-N 0 0 352.395 0.422 10 5 FCBERN CNC(=O)C(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000448314997 248444319 /nfs/dbraw/zinc/44/43/19/248444319.db2.gz WJNBFSYHDSTLGO-SNVBAGLBSA-N 0 0 366.374 0.681 10 5 FCBERN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 ZINC000451949441 248537475 /nfs/dbraw/zinc/53/74/75/248537475.db2.gz XFBVGBUMCHLURD-FVQBIDKESA-N 0 0 370.427 0.986 10 5 FCBERN C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000452020029 248541656 /nfs/dbraw/zinc/54/16/56/248541656.db2.gz MXRPANQCWGOZSG-DOMZBBRYSA-N 0 0 358.416 0.939 10 5 FCBERN C[C@@H]1OCC[C@@H]1N(CCO)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000452030146 248542262 /nfs/dbraw/zinc/54/22/62/248542262.db2.gz ZTPLCAIRXLGMAN-JSGCOSHPSA-N 0 0 358.416 0.939 10 5 FCBERN C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000452030147 248542375 /nfs/dbraw/zinc/54/23/75/248542375.db2.gz ZTPLCAIRXLGMAN-OCCSQVGLSA-N 0 0 358.416 0.939 10 5 FCBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)[C@H]1CCO[C@@H]1C ZINC000452030066 248542522 /nfs/dbraw/zinc/54/25/22/248542522.db2.gz ZNUHKYLTRFGOEG-PWSUYJOCSA-N 0 0 360.388 0.764 10 5 FCBERN CCOC1(C)CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452696634 249328442 /nfs/dbraw/zinc/32/84/42/249328442.db2.gz IZODIFNKROUCJR-UHFFFAOYSA-N 0 0 371.415 0.901 10 5 FCBERN CO[C@@H]1CCC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000452988545 249340021 /nfs/dbraw/zinc/34/00/21/249340021.db2.gz MRABYSHPMXNLDY-ZIAGYGMSSA-N 0 0 371.415 0.947 10 5 FCBERN COc1ccc(CN2CC[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000271428754 211399039 /nfs/dbraw/zinc/39/90/39/211399039.db2.gz RFKUAOLSWWDGPV-ZDUSSCGKSA-N 0 0 373.369 0.868 10 5 FCBERN COc1ccccc1N1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1=O ZINC000271414426 211396890 /nfs/dbraw/zinc/39/68/90/211396890.db2.gz OVXJRPISQQQDKV-JTQLQIEISA-N 0 0 359.342 0.872 10 5 FCBERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270837270 211280179 /nfs/dbraw/zinc/28/01/79/211280179.db2.gz UETAIPAMEWTAAW-ZDUSSCGKSA-N 0 0 362.342 0.563 10 5 FCBERN CNC(=O)c1cc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)cn1C ZINC000270216953 211168570 /nfs/dbraw/zinc/16/85/70/211168570.db2.gz GQBABRYYACJUCP-UHFFFAOYSA-N 0 0 366.399 0.814 10 5 FCBERN CCNC(=O)N1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000472990231 250190987 /nfs/dbraw/zinc/19/09/87/250190987.db2.gz ZHKQTZWGXAMNGX-LBPRGKRZSA-N 0 0 363.374 0.245 10 5 FCBERN CS(=O)(=O)c1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1Cl ZINC000472754759 250178873 /nfs/dbraw/zinc/17/88/73/250178873.db2.gz SATOTOMCXOKVDC-UHFFFAOYSA-N 0 0 359.751 0.882 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](OCCO)C1 ZINC000269782584 211076267 /nfs/dbraw/zinc/07/62/67/211076267.db2.gz PAYCSXDAMKJCPZ-GFCCVEGCSA-N 0 0 360.388 0.765 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)C1CCOCC1 ZINC000481611385 250346716 /nfs/dbraw/zinc/34/67/16/250346716.db2.gz DVGMUAMHHZSFQL-LBPRGKRZSA-N 0 0 360.388 0.669 10 5 FCBERN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000481330916 250331961 /nfs/dbraw/zinc/33/19/61/250331961.db2.gz NYVZPFLAUWFFHK-GFCCVEGCSA-N 0 0 371.419 0.987 10 5 FCBERN O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000482311593 250386650 /nfs/dbraw/zinc/38/66/50/250386650.db2.gz GDJZLGWGAZHMCI-JTQLQIEISA-N 0 0 355.301 0.432 10 5 FCBERN Cc1c(Cl)cc(S(=O)(=O)NCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000269720545 211055412 /nfs/dbraw/zinc/05/54/12/211055412.db2.gz UPYAKZRMLAUCEJ-UHFFFAOYSA-N 0 0 350.780 0.844 10 5 FCBERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269600765 211020998 /nfs/dbraw/zinc/02/09/98/211020998.db2.gz PPFZOKSWZWKTEV-MRVPVSSYSA-N 0 0 356.132 0.892 10 5 FCBERN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000500215376 250792211 /nfs/dbraw/zinc/79/22/11/250792211.db2.gz KMYUYKLRRLTDMU-LBPRGKRZSA-N 0 0 360.374 0.864 10 5 FCBERN CC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000267279557 210509961 /nfs/dbraw/zinc/50/99/61/210509961.db2.gz KIFJJXCIIZTGED-AWEZNQCLSA-N 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/nfs/dbraw/zinc/88/88/44/490888844.db2.gz ALOYWUNHWJXLFJ-RYUDHWBXSA-N 0 0 359.404 0.087 10 5 FCBERN CC1(C(N)=O)CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000517150575 490896623 /nfs/dbraw/zinc/89/66/23/490896623.db2.gz QYUVXCXXSVQQSA-SECBINFHSA-N 0 0 366.399 0.595 10 5 FCBERN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@]1(C)CO ZINC000530329431 490899446 /nfs/dbraw/zinc/89/94/46/490899446.db2.gz FFKLJYLCBGIKTH-CQSZACIVSA-N 0 0 358.372 0.917 10 5 FCBERN O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)NC(=O)NCc1ccco1 ZINC000542548262 490899934 /nfs/dbraw/zinc/89/99/34/490899934.db2.gz GCAFNRHIMHEXIF-UHFFFAOYSA-N 0 0 359.342 0.967 10 5 FCBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC(=O)N(C)C1 ZINC000542756276 490907171 /nfs/dbraw/zinc/90/71/71/490907171.db2.gz ZOGRITSJZGXAIS-SECBINFHSA-N 0 0 370.387 0.297 10 5 FCBERN O=C(NC[C@@H]1COCCO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517661324 490916042 /nfs/dbraw/zinc/91/60/42/490916042.db2.gz VBTTUKPUXFECFD-MNOVXSKESA-N 0 0 353.331 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CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)S1(=O)=O ZINC000593595209 546981073 /nfs/dbraw/zinc/98/10/73/546981073.db2.gz DGJFMFCOKAYVLL-KOLCDFICSA-N 0 0 363.417 0.576 10 5 FCBERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1n1cccn1 ZINC000593600439 546982102 /nfs/dbraw/zinc/98/21/02/546982102.db2.gz AJFZGTXTKKASDY-YRGRVCCFSA-N 0 0 367.387 0.883 10 5 FCBERN C[NH+](C)CCN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000593620460 546984832 /nfs/dbraw/zinc/98/48/32/546984832.db2.gz AOOGTASGXKZDQH-UHFFFAOYSA-N 0 0 374.394 0.128 10 5 FCBERN COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000593641027 546986143 /nfs/dbraw/zinc/98/61/43/546986143.db2.gz SWLGVDVPVSAGRG-NXEZZACHSA-N 0 0 374.371 0.152 10 5 FCBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593712337 546990208 /nfs/dbraw/zinc/99/02/08/546990208.db2.gz XCLDDZRGDHPXCD-MAXLSHCHSA-N 0 0 351.384 0.882 10 5 FCBERN 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O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCc2nccnc2C1 ZINC001634013271 1282291311 /nfs/dbraw/zinc/29/13/11/1282291311.db2.gz CLRLPMWYKDALBC-UHFFFAOYSA-N 0 0 367.321 0.566 10 5 FCBERN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CCc2c(=O)[nH]cnc2C1 ZINC001634020424 1282292218 /nfs/dbraw/zinc/29/22/18/1282292218.db2.gz QSYYLLFDOCGHBH-UHFFFAOYSA-N 0 0 367.325 0.870 10 5 FCBERN CC(=O)NC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCO1 ZINC001586549074 1282305030 /nfs/dbraw/zinc/30/50/30/1282305030.db2.gz BCXBAVYKELVHKS-MRVPVSSYSA-N 0 0 374.756 0.947 10 5 FCBERN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@H](O)C1 ZINC001586658302 1282307787 /nfs/dbraw/zinc/30/77/87/1282307787.db2.gz GDZGBQOJNAOEET-RYUDHWBXSA-N 0 0 371.415 0.540 10 5 FCBERN C[C@@H]1COCC[C@H]1NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001634224523 1282311574 /nfs/dbraw/zinc/31/15/74/1282311574.db2.gz IWVGRRSRLULCCQ-JUDXGUMMSA-N 0 0 353.375 0.713 10 5 FCBERN C[C@H](O)[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001634312469 1282319689 /nfs/dbraw/zinc/31/96/89/1282319689.db2.gz SMICCMPVWRGEJS-GUBZILKMSA-N 0 0 357.388 0.119 10 5 FCBERN CC[C@]1(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCNC1=O ZINC001634402112 1282326085 /nfs/dbraw/zinc/32/60/85/1282326085.db2.gz UTPANXIJZAJBPE-KRWDZBQOSA-N 0 0 372.385 0.982 10 5 FCBERN COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001587013134 1282326482 /nfs/dbraw/zinc/32/64/82/1282326482.db2.gz XJYPPTMEVHPIEJ-SNVBAGLBSA-N 0 0 374.346 0.536 10 5 FCBERN COc1ccc(C(=O)CNC(=O)[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC001587091952 1282329628 /nfs/dbraw/zinc/32/96/28/1282329628.db2.gz WYYXIWLYCBZTHK-CQSZACIVSA-N 0 0 370.383 0.870 10 5 FCBERN C[C@@H](CC[S@@](C)=O)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001634563468 1282335380 /nfs/dbraw/zinc/33/53/80/1282335380.db2.gz JUQDSZIMGPKRPU-CCGUKBGLSA-N 0 0 356.404 0.990 10 5 FCBERN CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H](O)c1cccnc1 ZINC001587180417 1282338531 /nfs/dbraw/zinc/33/85/31/1282338531.db2.gz IRUAAAJUQLBKFU-ZIAGYGMSSA-N 0 0 362.342 0.723 10 5 FCBERN COCC1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC001635126468 1282382429 /nfs/dbraw/zinc/38/24/29/1282382429.db2.gz LTAGGRGWEMOBFS-UHFFFAOYSA-N 0 0 371.415 0.806 10 5 FCBERN COC(=O)[C@@H](CCC1OCCO1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC001587981054 1282391525 /nfs/dbraw/zinc/39/15/25/1282391525.db2.gz JICWTIGQRLPLKH-LLVKDONJSA-N 0 0 368.342 0.785 10 5 FCBERN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(OC(F)F)C1 ZINC001635314665 1282395587 /nfs/dbraw/zinc/39/55/87/1282395587.db2.gz JCQKMQSHBVFURK-UHFFFAOYSA-N 0 0 365.314 0.323 10 5 FCBERN CCCS(=O)(=O)N1CCC(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001635360326 1282398488 /nfs/dbraw/zinc/39/84/88/1282398488.db2.gz JPLHEGGTWINBMZ-UHFFFAOYSA-N 0 0 373.435 0.420 10 5 FCBERN CNC(=O)NC[C@@H]1COCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001588071556 1282400744 /nfs/dbraw/zinc/40/07/44/1282400744.db2.gz HNIZIJZAQNKLDX-GFCCVEGCSA-N 0 0 365.390 0.553 10 5 FCBERN Cc1cc(OCC(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)ccc1[N+](=O)[O-] ZINC001635472949 1282409492 /nfs/dbraw/zinc/40/94/92/1282409492.db2.gz RBRMYYKQHNSXQH-YOEHRIQHSA-N 0 0 361.354 0.888 10 5 FCBERN COC(=O)NCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001635502392 1282412538 /nfs/dbraw/zinc/41/25/38/1282412538.db2.gz LIRUYGAHTSJJMM-UHFFFAOYSA-N 0 0 358.738 0.450 10 5 FCBERN Cn1nncc1C1(O)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001588318626 1282416992 /nfs/dbraw/zinc/41/69/92/1282416992.db2.gz YKRQSONEKTZJLO-UHFFFAOYSA-N 0 0 357.370 0.875 10 5 FCBERN C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001636204268 1282470693 /nfs/dbraw/zinc/47/06/93/1282470693.db2.gz UHZXLYPKBFLMIT-MNOVXSKESA-N 0 0 352.343 0.978 10 5 FCBERN CNC(=O)NC[C@H]1COCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001636362445 1282492067 /nfs/dbraw/zinc/49/20/67/1282492067.db2.gz APVHATKNLSSLMM-NSHDSACASA-N 0 0 351.363 0.163 10 5 FCBERN COCCn1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC001636517847 1282510794 /nfs/dbraw/zinc/51/07/94/1282510794.db2.gz AOOJXJCOEKGHFZ-UHFFFAOYSA-N 0 0 362.342 0.362 10 5 FCBERN Cn1nccc1C1(O)CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001636530179 1282513036 /nfs/dbraw/zinc/51/30/36/1282513036.db2.gz BCYWHMXYOJNQTO-UHFFFAOYSA-N 0 0 368.353 0.858 10 5 FCBERN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001636528422 1282513550 /nfs/dbraw/zinc/51/35/50/1282513550.db2.gz JSDBKAONAHRWKD-YUMQZZPRSA-N 0 0 361.280 0.801 10 5 FCBERN Cn1nncc1C1(O)CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001636585500 1282520239 /nfs/dbraw/zinc/52/02/39/1282520239.db2.gz RBWGJQILBWMCHD-UHFFFAOYSA-N 0 0 360.374 0.645 10 5 FCBERN CO[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@H]1O ZINC001636692415 1282530586 /nfs/dbraw/zinc/53/05/86/1282530586.db2.gz AYQVDIBXHMYIDZ-ZIAGYGMSSA-N 0 0 351.359 0.263 10 5 FCBERN CC(C)N(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CNC(=O)C(C)(C)C ZINC001718792385 1287579163 /nfs/dbraw/zinc/57/91/63/1287579163.db2.gz LUYPDTIIAADRIH-CHWSQXEVSA-N 0 0 370.450 0.509 10 5 FCBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC001636843814 1282541392 /nfs/dbraw/zinc/54/13/92/1282541392.db2.gz PAAPFMAKFUXCDE-HNNXBMFYSA-N 0 0 362.390 0.805 10 5 FCBERN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001588582081 1282571533 /nfs/dbraw/zinc/57/15/33/1282571533.db2.gz AELHHQWPZDEMHV-ABAIWWIYSA-N 0 0 370.369 0.916 10 5 FCBERN O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001637374022 1282588720 /nfs/dbraw/zinc/58/87/20/1282588720.db2.gz MLNFYEMXLFOSBX-JTQLQIEISA-N 0 0 363.351 0.996 10 5 FCBERN O=C(C[C@H]1CCC(=O)NC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001637846577 1282628990 /nfs/dbraw/zinc/62/89/90/1282628990.db2.gz DNZCTYIQNYHFFJ-CYBMUJFWSA-N 0 0 374.397 0.796 10 5 FCBERN COCCN(CCNC(=O)C1CC2(CCC2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718825788 1287587015 /nfs/dbraw/zinc/58/70/15/1287587015.db2.gz DMOOWRSKDSVTHH-ZIAGYGMSSA-N 0 0 353.419 0.823 10 5 FCBERN CN(C)CCS(=O)(=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001638123313 1282662326 /nfs/dbraw/zinc/66/23/26/1282662326.db2.gz OMLCSPBCFKCDMI-UHFFFAOYSA-N 0 0 367.387 0.906 10 5 FCBERN CCOc1cc(C(=O)NCC(=O)N=S(C)(C)=O)c([N+](=O)[O-])cc1OC ZINC001638603365 1282709807 /nfs/dbraw/zinc/70/98/07/1282709807.db2.gz YZULHALGHRMUIU-UHFFFAOYSA-N 0 0 373.387 0.986 10 5 FCBERN Cc1noc(C)c1CC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001718868845 1287592776 /nfs/dbraw/zinc/59/27/76/1287592776.db2.gz LGLUNCILPLZSGP-HUUCEWRRSA-N 0 0 362.386 0.774 10 5 FCBERN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@@H](O)C1 ZINC001639347639 1282774150 /nfs/dbraw/zinc/77/41/50/1282774150.db2.gz MPVKTJHOZPMTLI-KLPPZKSPSA-N 0 0 357.388 0.102 10 5 FCBERN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC001639610083 1282797515 /nfs/dbraw/zinc/79/75/15/1282797515.db2.gz DHWIDMPHAWQIRH-UHFFFAOYSA-N 0 0 366.374 0.559 10 5 FCBERN C[C@H](O)C(=O)N1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC001639729404 1282809331 /nfs/dbraw/zinc/80/93/31/1282809331.db2.gz VSFHPAPBGGVQTJ-ZETCQYMHSA-N 0 0 351.285 0.377 10 5 FCBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC2(CCNC(=O)O2)CC1 ZINC001639734222 1282810058 /nfs/dbraw/zinc/81/00/58/1282810058.db2.gz NHVZMEJCPJRDKW-UHFFFAOYSA-N 0 0 350.331 0.248 10 5 FCBERN C[C@]1(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCNC(=O)C1 ZINC001639842016 1282820176 /nfs/dbraw/zinc/82/01/76/1282820176.db2.gz PCGZMPPXODYFSA-KRWDZBQOSA-N 0 0 372.385 0.982 10 5 FCBERN CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001639949574 1282827211 /nfs/dbraw/zinc/82/72/11/1282827211.db2.gz NQXCAWGKHRZLNL-SSDOTTSWSA-N 0 0 371.341 0.817 10 5 FCBERN CN(Cc1ccns1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001640203348 1282846350 /nfs/dbraw/zinc/84/63/50/1282846350.db2.gz PGKKPKRLZLNFJI-UHFFFAOYSA-N 0 0 356.385 0.971 10 5 FCBERN COC(=O)[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001640536601 1282872618 /nfs/dbraw/zinc/87/26/18/1282872618.db2.gz CMVIWRUUJKDYDN-GHMZBOCLSA-N 0 0 365.342 0.427 10 5 FCBERN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])NCC[NH+]1CCCCC1 ZINC001640694417 1282890391 /nfs/dbraw/zinc/89/03/91/1282890391.db2.gz COHGMEGNMOALQR-UHFFFAOYSA-N 0 0 350.375 0.632 10 5 FCBERN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])NCC[NH+]1CCCCC1 ZINC001640694940 1282891580 /nfs/dbraw/zinc/89/15/80/1282891580.db2.gz MIWZKLOXTUIEEY-UHFFFAOYSA-N 0 0 350.375 0.632 10 5 FCBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)N=S(C)(C)=O)C1=O ZINC001640857448 1282909513 /nfs/dbraw/zinc/90/95/13/1282909513.db2.gz FEMDLHLTLBSXJI-CQSZACIVSA-N 0 0 368.371 0.616 10 5 FCBERN C[C@@]1(CO)C[C@H](O)CN1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001640903235 1282911887 /nfs/dbraw/zinc/91/18/87/1282911887.db2.gz HPJTYXJXZQDVJN-BBRMVZONSA-N 0 0 361.358 0.192 10 5 FCBERN CC(=O)N[C@@H]1CCCN(C(=O)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC001640950005 1282916299 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364.177 0.524 10 5 FCBERN COC[C@]1(C(=O)OC)CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594806672 547012752 /nfs/dbraw/zinc/01/27/52/547012752.db2.gz CCMRBQISUSONRL-ZDUSSCGKSA-N 0 0 359.360 0.333 10 5 FCBERN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000804690882 663228073 /nfs/dbraw/zinc/22/80/73/663228073.db2.gz KAOPGHVFHSTGSD-NSHDSACASA-N 0 0 356.404 0.721 10 5 FCBERN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OC[C@@H]1COCCO1 ZINC000729100556 665232525 /nfs/dbraw/zinc/23/25/25/665232525.db2.gz GGVGMZFXGXPAAM-ZDUSSCGKSA-N 0 0 353.331 0.353 10 5 FCBERN COc1cc(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000592152758 666567135 /nfs/dbraw/zinc/56/71/35/666567135.db2.gz CRBCGCJYRZSCSH-HNNXBMFYSA-N 0 0 356.400 0.993 10 5 FCBERN O=C(c1cnn(CCF)c1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941007141 666572415 /nfs/dbraw/zinc/57/24/15/666572415.db2.gz GASRHIALRDGUMQ-CHWSQXEVSA-N 0 0 353.354 0.192 10 5 FCBERN CCc1nnsc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 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0.821 10 5 FCBERN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@]2(OCCO)CCOC2)cc1 ZINC000594817644 547013879 /nfs/dbraw/zinc/01/38/79/547013879.db2.gz UTVZXRDIRGQJAK-AWEZNQCLSA-N 0 0 360.388 0.182 10 5 FCBERN Cc1cc(S(=O)(=O)NC[C@]2(OCCO)CCOC2)c(C)cc1[N+](=O)[O-] ZINC000594818250 547014107 /nfs/dbraw/zinc/01/41/07/547014107.db2.gz WZDNJVKDYMJAMH-OAHLLOKOSA-N 0 0 374.415 0.658 10 5 FCBERN COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000594824788 547014789 /nfs/dbraw/zinc/01/47/89/547014789.db2.gz RTLIIHQIQNWIAL-GXFFZTMASA-N 0 0 358.372 0.820 10 5 FCBERN COc1ccc(S(=O)(=O)N2CC[C@H](O)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC000594823138 547014929 /nfs/dbraw/zinc/01/49/29/547014929.db2.gz VPNVZMGHXLJSNV-NSHDSACASA-N 0 0 352.315 0.994 10 5 FCBERN COc1ccc(S(=O)(=O)N2CC[C@@H](O)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC000594823137 547015073 /nfs/dbraw/zinc/01/50/73/547015073.db2.gz VPNVZMGHXLJSNV-LLVKDONJSA-N 0 0 352.315 0.994 10 5 FCBERN CCn1cc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000553892788 547332279 /nfs/dbraw/zinc/33/22/79/547332279.db2.gz GLDDPDLJSQHDHP-LBPRGKRZSA-N 0 0 354.388 0.693 10 5 FCBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000804776772 663238264 /nfs/dbraw/zinc/23/82/64/663238264.db2.gz GXQDUXKREMJNCS-LBPRGKRZSA-N 0 0 370.431 0.815 10 5 FCBERN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(N)=O ZINC000158117320 663502813 /nfs/dbraw/zinc/50/28/13/663502813.db2.gz ZNQQVZCSEMDGNO-RXMQYKEDSA-N 0 0 352.166 0.509 10 5 FCBERN O=C(CCC1CCOCC1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941007311 666572710 /nfs/dbraw/zinc/57/27/10/666572710.db2.gz AHGPKOBMVDTJIT-HUUCEWRRSA-N 0 0 353.419 0.919 10 5 FCBERN Cn1ncc(Cl)c1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941012977 666573822 /nfs/dbraw/zinc/57/38/22/666573822.db2.gz VMJGGHDCGGKVEW-MWLCHTKSSA-N 0 0 355.782 0.413 10 5 FCBERN COCCOCCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732501047 666882501 /nfs/dbraw/zinc/88/25/01/666882501.db2.gz ZJFIBSFRGTZFAT-LLVKDONJSA-N 0 0 356.331 0.999 10 5 FCBERN O=C(OC[C@H]1COCCO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732503699 666883013 /nfs/dbraw/zinc/88/30/13/666883013.db2.gz LEGBYRYYXHKYFM-GHMZBOCLSA-N 0 0 354.315 0.751 10 5 FCBERN CS(=O)(=O)CCCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000733558074 666912748 /nfs/dbraw/zinc/91/27/48/666912748.db2.gz IWUXIQJBZIGTQX-SNVBAGLBSA-N 0 0 374.371 0.770 10 5 FCBERN CCN(C)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000733558329 666912797 /nfs/dbraw/zinc/91/27/97/666912797.db2.gz LFROQEFJFLMIOE-SNVBAGLBSA-N 0 0 353.331 0.814 10 5 FCBERN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CN3CCN2CCC3)c1C ZINC000917055711 667048946 /nfs/dbraw/zinc/04/89/46/667048946.db2.gz LKIZCGVUUBQDRM-CQSZACIVSA-N 0 0 368.459 0.880 10 5 FCBERN C/C(=C\C(=O)N1CCN(S(N)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751890318 667492795 /nfs/dbraw/zinc/49/27/95/667492795.db2.gz UJCPQRDWSFCIQJ-ZHACJKMWSA-N 0 0 354.388 0.346 10 5 FCBERN 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1291238231 /nfs/dbraw/zinc/23/82/31/1291238231.db2.gz NGAGGXNKJZWITL-SECBINFHSA-N 0 0 373.287 0.937 10 5 FCBERN CS(C)(=O)=NC(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC001651876524 1291246914 /nfs/dbraw/zinc/24/69/14/1291246914.db2.gz HHCJBUDSPJPIOY-UHFFFAOYSA-N 0 0 352.166 0.773 10 5 FCBERN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H](CO)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001652129240 1291262601 /nfs/dbraw/zinc/26/26/01/1291262601.db2.gz ULNHNAOEYXMWHD-TXEJJXNPSA-N 0 0 371.415 0.799 10 5 FCBERN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC001652251908 1291269512 /nfs/dbraw/zinc/26/95/12/1291269512.db2.gz CREQJRXQRJYIDG-CYBMUJFWSA-N 0 0 370.431 0.732 10 5 FCBERN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC001652251910 1291269784 /nfs/dbraw/zinc/26/97/84/1291269784.db2.gz CREQJRXQRJYIDG-ZDUSSCGKSA-N 0 0 370.431 0.732 10 5 FCBERN CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC001652736403 1291296600 /nfs/dbraw/zinc/29/66/00/1291296600.db2.gz 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FCBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001655352287 1291465513 /nfs/dbraw/zinc/46/55/13/1291465513.db2.gz UXWJKQJNOUVKST-PHIMTYICSA-N 0 0 362.342 0.089 10 5 FCBERN O=C1NCCO[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]12 ZINC001655409538 1291466793 /nfs/dbraw/zinc/46/67/93/1291466793.db2.gz JCVMVAYTWVMFHK-KGLIPLIRSA-N 0 0 350.331 0.982 10 5 FCBERN COC(=O)/C=C\c1ccc(NC[C@H](O)CS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001655911534 1291491257 /nfs/dbraw/zinc/49/12/57/1291491257.db2.gz TYCHKYYGMDVZGG-QZPNVGJNSA-N 0 0 358.372 0.598 10 5 FCBERN NS(=O)(=O)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC001655914853 1291491638 /nfs/dbraw/zinc/49/16/38/1291491638.db2.gz UVXQRIMJGMLBII-SSDOTTSWSA-N 0 0 365.209 0.867 10 5 FCBERN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](CS(N)(=O)=O)C1 ZINC001656342885 1291511009 /nfs/dbraw/zinc/51/10/09/1291511009.db2.gz CSOKKVJFMQUSID-MNOVXSKESA-N 0 0 356.404 0.532 10 5 FCBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(Cc2nc[nH]n2)CC1 ZINC001659252696 1291633056 /nfs/dbraw/zinc/63/30/56/1291633056.db2.gz ZZGOYOONCRIUPV-UHFFFAOYSA-N 0 0 359.390 0.778 10 5 FCBERN CO[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC001659750947 1291643448 /nfs/dbraw/zinc/64/34/48/1291643448.db2.gz PSCWZIZUFLFJHZ-UKRRQHHQSA-N 0 0 358.416 0.840 10 5 FCBERN CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(-c2ccccc2)nn1 ZINC001660129778 1291653066 /nfs/dbraw/zinc/65/30/66/1291653066.db2.gz YGUBWSDJNLIOJG-HZPDHXFCSA-N 0 0 358.402 0.871 10 5 FCBERN O=C(NCC1(O)CN(Cc2nc3ccc(F)cc3o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001672076135 1292062991 /nfs/dbraw/zinc/06/29/91/1292062991.db2.gz HASSUHSMTVUZHW-ZYHUDNBSSA-N 0 0 364.333 0.295 10 5 FCBERN CC(=O)CCCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001678990018 1292289528 /nfs/dbraw/zinc/28/95/28/1292289528.db2.gz VPTSLLIRCJHGJU-ZIAGYGMSSA-N 0 0 351.403 0.862 10 5 FCBERN Cc1ccc(CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC001684707038 1292316186 /nfs/dbraw/zinc/31/61/86/1292316186.db2.gz ZIWXCHVZQBODEJ-CQSZACIVSA-N 0 0 357.388 0.252 10 5 FCBERN O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnc(-c2ccccc2)[nH]1 ZINC001687003456 1292973399 /nfs/dbraw/zinc/97/33/99/1292973399.db2.gz CZQMEMOEBBKENP-TZMCWYRMSA-N 0 0 357.370 0.978 10 5 FCBERN COC(=O)CCNC(=O)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001687281781 1292984031 /nfs/dbraw/zinc/98/40/31/1292984031.db2.gz RRUPCVZVZFZVDH-UHFFFAOYSA-N 0 0 366.374 0.772 10 5 FCBERN C[C@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC001687732013 1293006573 /nfs/dbraw/zinc/00/65/73/1293006573.db2.gz ATDHUCIAVCWQOI-MNOVXSKESA-N 0 0 359.404 0.403 10 5 FCBERN O=C1NCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000693850586 836097934 /nfs/dbraw/zinc/09/79/34/836097934.db2.gz CQPFDNSFFVKHOJ-ZETCQYMHSA-N 0 0 364.177 0.524 10 5 FCBERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749978852 836398659 /nfs/dbraw/zinc/39/86/59/836398659.db2.gz VPFDRICRRSDHRM-LLVKDONJSA-N 0 0 368.777 0.715 10 5 FCBERN O=C(NC1(CCO)CN(CCCCC(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276050565 861303033 /nfs/dbraw/zinc/30/30/33/861303033.db2.gz GVYLYHRPQRGIOP-GHMZBOCLSA-N 0 0 353.341 0.937 10 5 FCBERN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001276525367 861470205 /nfs/dbraw/zinc/47/02/05/861470205.db2.gz RWRWAFMQMLIOFC-GFCCVEGCSA-N 0 0 350.331 0.192 10 5 FCBERN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cccc(OCC(F)(F)F)n1 ZINC001116821893 846777732 /nfs/dbraw/zinc/77/77/32/846777732.db2.gz FBKJEAFXWDBUGK-UHFFFAOYSA-N 0 0 360.252 0.839 10 5 FCBERN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cscn1 ZINC001117147082 846910971 /nfs/dbraw/zinc/91/09/71/846910971.db2.gz XIWCNRMUPFAZKO-UHFFFAOYSA-N 0 0 350.356 0.863 10 5 FCBERN CN(C[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC001117224915 846927446 /nfs/dbraw/zinc/92/74/46/846927446.db2.gz VPKBFPNCSOFWJO-JTQLQIEISA-N 0 0 359.408 0.072 10 5 FCBERN O=C(NCC1(NCc2nnc(C(F)(F)F)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001277055904 861746730 /nfs/dbraw/zinc/74/67/30/861746730.db2.gz WVNCZYUPCCAFCL-RNFRBKRXSA-N 0 0 365.337 0.961 10 5 FCBERN CC1(C)SC[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001117736065 847162058 /nfs/dbraw/zinc/16/20/58/847162058.db2.gz XXMBBGTZIFXOCX-LLVKDONJSA-N 0 0 367.431 0.965 10 5 FCBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCC(F)(F)F ZINC001118306727 847372931 /nfs/dbraw/zinc/37/29/31/847372931.db2.gz TXASKQBGMWMAAR-ZCFIWIBFSA-N 0 0 356.282 0.335 10 5 FCBERN CN(CCNS(C)(=O)=O)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC001118386877 847409416 /nfs/dbraw/zinc/40/94/16/847409416.db2.gz JFMOTLVEDUVXIY-AWEZNQCLSA-N 0 0 370.431 0.349 10 5 FCBERN C[C@@H]1CN(CCN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)C[C@@H](C)O1 ZINC001118479992 847441944 /nfs/dbraw/zinc/44/19/44/847441944.db2.gz YYMZGIGJLFZPOO-GHMZBOCLSA-N 0 0 369.399 0.849 10 5 FCBERN CN(OCC(F)(F)F)C(=O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001118751666 847568556 /nfs/dbraw/zinc/56/85/56/847568556.db2.gz CBMAIAXOVJAQQJ-UHFFFAOYSA-N 0 0 368.272 0.043 10 5 FCBERN COC1(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CS(=O)(=O)C1 ZINC001126294416 848705786 /nfs/dbraw/zinc/70/57/86/848705786.db2.gz NHEWEWOEDUYUJK-UHFFFAOYSA-N 0 0 371.415 0.635 10 5 FCBERN Cn1nnnc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC001127466164 848721946 /nfs/dbraw/zinc/72/19/46/848721946.db2.gz XQEWSKYQPUPTQQ-UHFFFAOYSA-N 0 0 374.098 0.975 10 5 FCBERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001128442077 848741388 /nfs/dbraw/zinc/74/13/88/848741388.db2.gz DBNMBAKLCCWRSE-QPUJVOFHSA-N 0 0 355.372 0.253 10 5 FCBERN COC(=O)C1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCOCC1 ZINC001128926544 848787688 /nfs/dbraw/zinc/78/76/88/848787688.db2.gz NMGQJFCMJXRXGB-UHFFFAOYSA-N 0 0 352.299 0.776 10 5 FCBERN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001128964095 848790399 /nfs/dbraw/zinc/79/03/99/848790399.db2.gz QPFOEBWMSOCQFL-AWEZNQCLSA-N 0 0 356.404 0.527 10 5 FCBERN CS(=O)(=O)CCCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129495675 848852895 /nfs/dbraw/zinc/85/28/95/848852895.db2.gz GEMUUJNZAGPDMS-UHFFFAOYSA-N 0 0 356.404 0.463 10 5 FCBERN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCC(=O)N1 ZINC001129625551 848872844 /nfs/dbraw/zinc/87/28/44/848872844.db2.gz FAVQFDTXOUNFND-AWEZNQCLSA-N 0 0 355.372 0.397 10 5 FCBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC001132959224 849145159 /nfs/dbraw/zinc/14/51/59/849145159.db2.gz CGLMWLXXUSQBSF-SECBINFHSA-N 0 0 373.387 0.919 10 5 FCBERN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC001132959230 849145233 /nfs/dbraw/zinc/14/52/33/849145233.db2.gz CGLMWLXXUSQBSF-VIFPVBQESA-N 0 0 373.387 0.919 10 5 FCBERN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC(=O)NCC12COC2 ZINC001133141270 849146702 /nfs/dbraw/zinc/14/67/02/849146702.db2.gz CLVZDGBGKQFXSY-UHFFFAOYSA-N 0 0 359.260 0.955 10 5 FCBERN O=C(NCc1nnc2n1CCNC2=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001133176522 849146964 /nfs/dbraw/zinc/14/69/64/849146964.db2.gz CEFZNACHOYIMPW-UHFFFAOYSA-N 0 0 350.722 0.513 10 5 FCBERN CS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CNC(=O)C2)cc([N+](=O)[O-])c1 ZINC001133275260 849149342 /nfs/dbraw/zinc/14/93/42/849149342.db2.gz HRVWQJGDKCQLCM-VIFPVBQESA-N 0 0 355.372 0.254 10 5 FCBERN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001134411454 849179045 /nfs/dbraw/zinc/17/90/45/849179045.db2.gz OVTYOWZLFPGUCH-UHFFFAOYSA-N 0 0 370.431 0.816 10 5 FCBERN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCO[C@@H]2COCC[C@@H]21 ZINC001134403189 849179134 /nfs/dbraw/zinc/17/91/34/849179134.db2.gz WLGGPHCIMLIXRM-GXTWGEPZSA-N 0 0 350.327 0.996 10 5 FCBERN CS(=O)(=O)C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001134518883 849181549 /nfs/dbraw/zinc/18/15/49/849181549.db2.gz ADOUUACMQQELBC-ZBKLQPJUSA-N 0 0 354.384 0.880 10 5 FCBERN COC(=O)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001134901091 849187583 /nfs/dbraw/zinc/18/75/83/849187583.db2.gz QWPCVBIZZXSQLJ-TXEJJXNPSA-N 0 0 354.290 0.768 10 5 FCBERN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001136250716 849213626 /nfs/dbraw/zinc/21/36/26/849213626.db2.gz HAJFJUMSXBTCPN-JTQLQIEISA-N 0 0 374.394 0.308 10 5 FCBERN COC(=O)[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001136435727 849222073 /nfs/dbraw/zinc/22/20/73/849222073.db2.gz TXLCLYINKISCEF-VIFPVBQESA-N 0 0 356.356 0.633 10 5 FCBERN C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001136510509 849225273 /nfs/dbraw/zinc/22/52/73/849225273.db2.gz BZNDSVLNAMVICE-JTQLQIEISA-N 0 0 369.399 0.739 10 5 FCBERN CN1C(=O)NC2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1=O ZINC001136908028 849247934 /nfs/dbraw/zinc/24/79/34/849247934.db2.gz VYPIBXNETPOPIC-UHFFFAOYSA-N 0 0 350.306 0.890 10 5 FCBERN O=C(CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)NCCO ZINC001137351674 849263329 /nfs/dbraw/zinc/26/33/29/849263329.db2.gz HAXWFKSSVVRCJB-UHFFFAOYSA-N 0 0 360.164 0.125 10 5 FCBERN C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001137434042 849265938 /nfs/dbraw/zinc/26/59/38/849265938.db2.gz YHCUDRMAFRRCDG-LLVKDONJSA-N 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ZINC000862006955 672019838 /nfs/dbraw/zinc/01/98/38/672019838.db2.gz HCKQFAZXXPRREN-NEPJUHHUSA-N 0 0 357.750 0.843 10 5 FCBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cnn(CC)n1 ZINC000862384654 672047045 /nfs/dbraw/zinc/04/70/45/672047045.db2.gz GASKUDKYHBLQTP-LLVKDONJSA-N 0 0 350.383 0.755 10 5 FCBERN CN(CCOCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C(=O)OC(C)(C)C ZINC000862856564 672083703 /nfs/dbraw/zinc/08/37/03/672083703.db2.gz TXIZAYNEQSZANR-UHFFFAOYSA-N 0 0 357.367 0.931 10 5 FCBERN CS(=O)(=O)NC[C@H]1COCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000863243252 672107208 /nfs/dbraw/zinc/10/72/08/672107208.db2.gz MQGDHIZPVDANNW-LBPRGKRZSA-N 0 0 374.444 0.542 10 5 FCBERN COC(=O)[C@](C)(NC(=O)[C@@H]1NC(=O)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000863300285 672111596 /nfs/dbraw/zinc/11/15/96/672111596.db2.gz ITCXDUPGYWPKBA-BGFNQPPGSA-N 0 0 351.315 0.596 10 5 FCBERN COC(=O)[C@@](C)(NC(=O)[C@@H]1CSC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000863300481 672111604 /nfs/dbraw/zinc/11/16/04/672111604.db2.gz LOFBRDNGLXVYBL-HZMBPMFUSA-N 0 0 353.356 0.924 10 5 FCBERN NC(=O)C[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000863520604 672133327 /nfs/dbraw/zinc/13/33/27/672133327.db2.gz WJOVBGCNEDYLDH-LLVKDONJSA-N 0 0 359.285 0.669 10 5 FCBERN CON(C)C(=O)[C@H](C)N1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863535602 672134160 /nfs/dbraw/zinc/13/41/60/672134160.db2.gz GWDWPNSOVRKXKY-BJOHPYRUSA-N 0 0 350.331 0.770 10 5 FCBERN Cc1nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121198064 672289629 /nfs/dbraw/zinc/28/96/29/672289629.db2.gz PPYGGTARPQDZBE-LLVKDONJSA-N 0 0 353.404 0.834 10 5 FCBERN COCCN1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000867704993 672357211 /nfs/dbraw/zinc/35/72/11/672357211.db2.gz FRYSFXWUIQMBFN-UHFFFAOYSA-N 0 0 353.350 0.984 10 5 FCBERN CS(=O)(=O)N1CC[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000801235494 675762475 /nfs/dbraw/zinc/76/24/75/675762475.db2.gz WHTHTDFNUNRHIW-QMMMGPOBSA-N 0 0 361.351 0.754 10 5 FCBERN COc1ccc(CC(=O)OC[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000801255587 675765320 /nfs/dbraw/zinc/76/53/20/675765320.db2.gz HUNZVBMKABZANM-GFCCVEGCSA-N 0 0 372.399 0.971 10 5 FCBERN CCCc1[nH]nc(C(=O)OC[C@H]2CCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] ZINC000801331216 675774539 /nfs/dbraw/zinc/77/45/39/675774539.db2.gz CDQAXYJXDXZNSL-VIFPVBQESA-N 0 0 360.392 0.709 10 5 FCBERN COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001648850914 1169048176 /nfs/dbraw/zinc/04/81/76/1169048176.db2.gz ZLBBYAVGVOQHJU-LBPRGKRZSA-N 0 0 360.326 0.774 10 5 FCBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCS(=O)(=O)CCO1 ZINC001648871821 1169090835 /nfs/dbraw/zinc/09/08/35/1169090835.db2.gz YPZNKNIHTOVPMW-UHFFFAOYSA-N 0 0 367.339 0.651 10 5 FCBERN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398187 1169857424 /nfs/dbraw/zinc/85/74/24/1169857424.db2.gz XRFGGRGNWHRSTP-LLVKDONJSA-N 0 0 373.373 0.456 10 5 FCBERN COc1cc(OCC(=O)N[C@H]2COCCC2(OC)OC)ccc1[N+](=O)[O-] ZINC001167436123 1169943402 /nfs/dbraw/zinc/94/34/02/1169943402.db2.gz CMAOVOAXMVVJMA-AWEZNQCLSA-N 0 0 370.358 0.876 10 5 FCBERN O=C(CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000051235238 1170699602 /nfs/dbraw/zinc/69/96/02/1170699602.db2.gz HOYYDNPHLPPLAQ-UHFFFAOYSA-N 0 0 366.393 0.710 10 5 FCBERN CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(-n2cncn2)cc1 ZINC001745105612 1179879444 /nfs/dbraw/zinc/87/94/44/1179879444.db2.gz GMMCDTOUDVVTIP-ZIAGYGMSSA-N 0 0 358.358 0.121 10 5 FCBERN COc1cccn2ncc(C(=O)N(C)CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c12 ZINC001745106153 1179882625 /nfs/dbraw/zinc/88/26/25/1179882625.db2.gz LIHFWDKDLZYPNC-ZYHUDNBSSA-N 0 0 361.358 0.196 10 5 FCBERN CC(=O)NCc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001745169558 1181355432 /nfs/dbraw/zinc/35/54/32/1181355432.db2.gz YIMVHFHDDYMRAM-HUUCEWRRSA-N 0 0 362.386 0.176 10 5 FCBERN Cc1cnc(CN2CCN(CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC001481467578 1186088322 /nfs/dbraw/zinc/08/83/22/1186088322.db2.gz AIKJFCIGVPZCBB-HUUCEWRRSA-N 0 0 362.434 0.026 10 5 FCBERN O=C(NCCN(C(=O)c1ccn(C(F)F)n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001745512622 1186625741 /nfs/dbraw/zinc/62/57/41/1186625741.db2.gz XMRBGQODFRJVTO-MWLCHTKSSA-N 0 0 357.317 0.664 10 5 FCBERN Cc1ncc(Cl)c(C(=O)N(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)n1 ZINC001745511836 1186626018 /nfs/dbraw/zinc/62/60/18/1186626018.db2.gz BKJHXFWNKRDYBZ-ZYHUDNBSSA-N 0 0 367.793 0.824 10 5 FCBERN C=C/C(C)=C/CC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001745701472 1187485280 /nfs/dbraw/zinc/48/52/80/1187485280.db2.gz XRWINFIHVFAMAB-LVKIJNIGSA-N 0 0 364.446 0.777 10 5 FCBERN Cn1ncnc1CNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001271805454 1190709752 /nfs/dbraw/zinc/70/97/52/1190709752.db2.gz AYYICHDNMVJFPT-HUUCEWRRSA-N 0 0 358.402 0.599 10 5 FCBERN O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(-n2cccn2)cc1 ZINC001299182358 1190823500 /nfs/dbraw/zinc/82/35/00/1190823500.db2.gz LUKVMHCIXLVUKS-HUUCEWRRSA-N 0 0 369.381 0.916 10 5 FCBERN O=C(C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1)N1CCOCC1 ZINC000551061034 1193831134 /nfs/dbraw/zinc/83/11/34/1193831134.db2.gz LHNYKYCORFKKRD-UHFFFAOYSA-N 0 0 360.374 0.713 10 5 FCBERN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000553474804 1194000262 /nfs/dbraw/zinc/00/02/62/1194000262.db2.gz VNYIGQIDAHYQOE-UHFFFAOYSA-N 0 0 369.332 0.727 10 5 FCBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC001545671271 1195722623 /nfs/dbraw/zinc/72/26/23/1195722623.db2.gz FLBSQWIUMJQDII-CMPLNLGQSA-N 0 0 355.372 0.877 10 5 FCBERN CCNC(=O)N1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000760756270 1196497804 /nfs/dbraw/zinc/49/78/04/1196497804.db2.gz UIOSVYCJHKRDNU-LBPRGKRZSA-N 0 0 360.374 0.865 10 5 FCBERN CC(C)Oc1cncc(NC(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594287939 1196704245 /nfs/dbraw/zinc/70/42/45/1196704245.db2.gz CXFJILQFOLHCFI-UHFFFAOYSA-N 0 0 359.342 1.427 10 5 FCBERN O=C(NCCCc1c[nH][nH]c1=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001168405531 1196736676 /nfs/dbraw/zinc/73/66/76/1196736676.db2.gz UERJFCMQVRQLOM-IINYFYTJSA-N 0 0 359.342 0.716 10 5 FCBERN CC[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000592864899 1196739429 /nfs/dbraw/zinc/73/94/29/1196739429.db2.gz IBHFKNSMGIQNJA-JTQLQIEISA-N 0 0 365.342 0.636 10 5 FCBERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450298 1196785613 /nfs/dbraw/zinc/78/56/13/1196785613.db2.gz LBQGFKBFBJYEGS-GFCCVEGCSA-N 0 0 366.349 0.130 10 5 FCBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1COC ZINC000593689629 1196814198 /nfs/dbraw/zinc/81/41/98/1196814198.db2.gz OQZVKMONOQAHHF-NWDGAFQWSA-N 0 0 367.358 0.540 10 5 FCBERN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCC1(CO)CCC1 ZINC000593878500 1196830855 /nfs/dbraw/zinc/83/08/55/1196830855.db2.gz CUKXXFJFVZKNTP-UHFFFAOYSA-N 0 0 363.370 0.989 10 5 FCBERN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@@H]1CO ZINC000913556471 1196844724 /nfs/dbraw/zinc/84/47/24/1196844724.db2.gz BIXFVCPYKMHBQU-CQSZACIVSA-N 0 0 364.402 0.180 10 5 FCBERN Cn1cnnc1N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000594235003 1196876245 /nfs/dbraw/zinc/87/62/45/1196876245.db2.gz ZZSOSSIEKQEPCH-UHFFFAOYSA-N 0 0 359.390 0.798 10 5 FCBERN Cc1ccc(NC(=O)C(=O)N2CCN(c3nncn3C)CC2)cc1[N+](=O)[O-] ZINC000594314627 1196884795 /nfs/dbraw/zinc/88/47/95/1196884795.db2.gz FTPKFFDYZOZURS-UHFFFAOYSA-N 0 0 373.373 0.319 10 5 FCBERN COC(=O)c1ccc(=O)n(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000739835612 1198029334 /nfs/dbraw/zinc/02/93/34/1198029334.db2.gz DAFRCFPSVLKWDZ-UHFFFAOYSA-N 0 0 373.369 0.718 10 5 FCBERN CCOC(=O)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000741251434 1198070283 /nfs/dbraw/zinc/07/02/83/1198070283.db2.gz CVYCBPCPFQXZNO-AWEZNQCLSA-N 0 0 367.358 0.806 10 5 FCBERN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772061543 1200691533 /nfs/dbraw/zinc/69/15/33/1200691533.db2.gz YQAUTTCWPRQCCT-JTQLQIEISA-N 0 0 368.346 0.429 10 5 FCBERN O=C(CCn1cc([N+](=O)[O-])cn1)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000746593506 1200844937 /nfs/dbraw/zinc/84/49/37/1200844937.db2.gz UWXANEQBEJNNFN-KGLIPLIRSA-N 0 0 366.374 0.895 10 5 FCBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000786861306 1200854819 /nfs/dbraw/zinc/85/48/19/1200854819.db2.gz UMMALQMAICTMNF-AWEZNQCLSA-N 0 0 362.342 0.722 10 5 FCBERN Cn1cc(C[C@H](O)C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000786864237 1200855681 /nfs/dbraw/zinc/85/56/81/1200855681.db2.gz SAHRKPWSQGZWOZ-HNNXBMFYSA-N 0 0 374.353 0.364 10 5 FCBERN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000790229939 1201061915 /nfs/dbraw/zinc/06/19/15/1201061915.db2.gz BIKUEERMLWZRLN-MRXNPFEDSA-N 0 0 372.341 0.145 10 5 FCBERN Cn1ccnc(N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)c1=O ZINC000804525032 1201348715 /nfs/dbraw/zinc/34/87/15/1201348715.db2.gz AYXBQXBGFOXJMX-UHFFFAOYSA-N 0 0 360.330 0.923 10 5 FCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2C(=O)CC[C@]12c1ccccc1 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ZINC000272556039 488588659 /nfs/dbraw/zinc/58/86/59/488588659.db2.gz USXIFAYTCSHAHC-LBPRGKRZSA-N 0 0 350.780 0.986 10 5 FCBERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000272590435 488590828 /nfs/dbraw/zinc/59/08/28/488590828.db2.gz ZSEGQTPGSKKCOT-VIFPVBQESA-N 0 0 374.806 0.955 10 5 FCBERN COc1ccc(C(=O)NCC(=O)N2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000272833362 488609661 /nfs/dbraw/zinc/60/96/61/488609661.db2.gz NERPKZSWCCEICI-UHFFFAOYSA-N 0 0 359.342 0.967 10 5 FCBERN CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)C[C@@H]1O ZINC000273024660 488626508 /nfs/dbraw/zinc/62/65/08/488626508.db2.gz AFLBAHHQNLUSJJ-CABZTGNLSA-N 0 0 358.372 0.773 10 5 FCBERN C[C@@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000273619417 488662813 /nfs/dbraw/zinc/66/28/13/488662813.db2.gz QYTXXNZCWQAHEN-GHMZBOCLSA-N 0 0 359.404 0.685 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1C(=O)CCC1=O ZINC000264367973 488667584 /nfs/dbraw/zinc/66/75/84/488667584.db2.gz ILANKFYZVHKHTA-UHFFFAOYSA-N 0 0 371.371 0.421 10 5 FCBERN COC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000264427220 488672580 /nfs/dbraw/zinc/67/25/80/488672580.db2.gz JXVIUBIOGJAIEA-UHFFFAOYSA-N 0 0 371.415 0.853 10 5 FCBERN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000137040842 488679649 /nfs/dbraw/zinc/67/96/49/488679649.db2.gz OIFUTYLRTWWZKY-OAHLLOKOSA-N 0 0 369.385 0.888 10 5 FCBERN COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264701457 488700294 /nfs/dbraw/zinc/70/02/94/488700294.db2.gz CHVCZXZJMWBOBH-UHFFFAOYSA-N 0 0 365.386 0.851 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000274360121 488701021 /nfs/dbraw/zinc/70/10/21/488701021.db2.gz MEGGALOJYIAWNN-JQWIXIFHSA-N 0 0 360.388 0.764 10 5 FCBERN CNS(=O)(=O)c1ccc(N2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000274426060 488707289 /nfs/dbraw/zinc/70/72/89/488707289.db2.gz RGWSPGOEYXUGSL-AWEZNQCLSA-N 0 0 357.388 0.499 10 5 FCBERN COC[C@@H](O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000264763817 488708821 /nfs/dbraw/zinc/70/88/21/488708821.db2.gz JCWFHWVCPCZJKU-LBPRGKRZSA-N 0 0 373.431 0.128 10 5 FCBERN COc1ccc(S(=O)(=O)N2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000274464789 488710743 /nfs/dbraw/zinc/71/07/43/488710743.db2.gz YHSQWPOWXGHVFJ-CQSZACIVSA-N 0 0 358.372 0.783 10 5 FCBERN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@@H](O)CN1CCOCC1 ZINC000152454218 488718322 /nfs/dbraw/zinc/71/83/22/488718322.db2.gz NUTSUHUKRFFQTP-ZDUSSCGKSA-N 0 0 350.331 0.105 10 5 FCBERN COc1ccc(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000265268569 488720091 /nfs/dbraw/zinc/72/00/91/488720091.db2.gz FNJRPEYVTDSJIA-JTQLQIEISA-N 0 0 372.403 0.165 10 5 FCBERN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCO[C@]2(CCOC2)C1 ZINC000274688254 488727698 /nfs/dbraw/zinc/72/76/98/488727698.db2.gz UDINVAAAHHCSAO-QGZVFWFLSA-N 0 0 363.370 0.733 10 5 FCBERN CN(CC(=O)N1CCOCC1)C(=O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000267040610 488755836 /nfs/dbraw/zinc/75/58/36/488755836.db2.gz NAJCYLWWQVEBAL-UHFFFAOYSA-N 0 0 371.777 0.944 10 5 FCBERN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC(=O)N(C)C1 ZINC000267108298 488761708 /nfs/dbraw/zinc/76/17/08/488761708.db2.gz QNUXAYLWWQYALG-SNVBAGLBSA-N 0 0 372.403 0.809 10 5 FCBERN COc1ccc(C(=O)NCC(=O)NC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000267250914 488772646 /nfs/dbraw/zinc/77/26/46/488772646.db2.gz RTUIGFYXACSEMM-JTQLQIEISA-N 0 0 365.264 0.373 10 5 FCBERN CC[C@@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000267280755 488773807 /nfs/dbraw/zinc/77/38/07/488773807.db2.gz KSUJRCDBSBWDTA-CQSZACIVSA-N 0 0 362.386 0.853 10 5 FCBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+](CC(=O)[O-])CC2)cc1C ZINC000275256595 488777522 /nfs/dbraw/zinc/77/75/22/488777522.db2.gz IGWWJWPTTVWDER-UHFFFAOYSA-N 0 0 371.415 0.993 10 5 FCBERN O=c1[nH]cnc2cc(N3CCN(c4cccnn4)CC3)c([N+](=O)[O-])cc12 ZINC000170641057 488814717 /nfs/dbraw/zinc/81/47/17/488814717.db2.gz OZDWUQRMXWQEMO-UHFFFAOYSA-N 0 0 353.342 0.948 10 5 FCBERN C[C@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000267962621 488831345 /nfs/dbraw/zinc/83/13/45/488831345.db2.gz CXOKXYJTGAWATC-CQSZACIVSA-N 0 0 357.388 0.558 10 5 FCBERN COC(=O)[C@]1(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000268085982 488838688 /nfs/dbraw/zinc/83/86/88/488838688.db2.gz XDIKCWPVPREEEI-ZDUSSCGKSA-N 0 0 360.344 0.214 10 5 FCBERN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173997699 488846877 /nfs/dbraw/zinc/84/68/77/488846877.db2.gz BCMGQSCKCUTGLS-ZDUSSCGKSA-N 0 0 355.416 0.998 10 5 FCBERN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173999676 488846958 /nfs/dbraw/zinc/84/69/58/488846958.db2.gz FQNGLKFOFFIHEA-HNNXBMFYSA-N 0 0 355.416 0.831 10 5 FCBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000182238886 488864472 /nfs/dbraw/zinc/86/44/72/488864472.db2.gz OEAMTSSUVWDIBH-GJZGRUSLSA-N 0 0 362.386 0.932 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(S(C)(=O)=O)CC1 ZINC000280116951 488985473 /nfs/dbraw/zinc/98/54/73/488985473.db2.gz CEQRXYIGAOKXBP-UHFFFAOYSA-N 0 0 364.401 0.459 10 5 FCBERN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CC=CCC1 ZINC000280335979 488999505 /nfs/dbraw/zinc/99/95/05/488999505.db2.gz VDRXZWNLHFZZMK-UHFFFAOYSA-N 0 0 369.399 0.922 10 5 FCBERN CNC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000365238527 489052818 /nfs/dbraw/zinc/05/28/18/489052818.db2.gz AQCSQEHCCTVBLI-UHFFFAOYSA-N 0 0 350.375 0.497 10 5 FCBERN CN(CCCO)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000281465436 489077677 /nfs/dbraw/zinc/07/76/77/489077677.db2.gz BFZGHYKIBRKWSJ-UHFFFAOYSA-N 0 0 359.404 0.434 10 5 FCBERN C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000281631758 489092733 /nfs/dbraw/zinc/09/27/33/489092733.db2.gz QCAKLHYJQSAGAY-LLVKDONJSA-N 0 0 369.399 0.653 10 5 FCBERN CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000281661368 489095397 /nfs/dbraw/zinc/09/53/97/489095397.db2.gz NLZHDVBYTFNLHR-CQSZACIVSA-N 0 0 357.388 0.750 10 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CCCc1n[nH]c(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1[N+](=O)[O-] ZINC000370623499 489383583 /nfs/dbraw/zinc/38/35/83/489383583.db2.gz YYOSRIRLDBCZPD-MGPLVRAMSA-N 0 0 366.374 0.922 10 5 FCBERN COc1ccnc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000299037730 489398712 /nfs/dbraw/zinc/39/87/12/489398712.db2.gz BOHAZSKQGNVFME-UHFFFAOYSA-N 0 0 358.358 0.819 10 5 FCBERN NC(=O)c1cc([N+](=O)[O-])cnc1Sc1nnc(N2CCOCC2)s1 ZINC000299243133 489423408 /nfs/dbraw/zinc/42/34/08/489423408.db2.gz OMKOAWJPOHVGAD-UHFFFAOYSA-N 0 0 368.400 0.928 10 5 FCBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000299578063 489458112 /nfs/dbraw/zinc/45/81/12/489458112.db2.gz BKZSQGFENGTDPI-WQVCFCJDSA-N 0 0 369.443 0.431 10 5 FCBERN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000299594112 489460306 /nfs/dbraw/zinc/46/03/06/489460306.db2.gz VRPXXNGJMAAIJB-LBPRGKRZSA-N 0 0 358.358 0.332 10 5 FCBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000299622897 489463941 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ZINC000416369104 489585325 /nfs/dbraw/zinc/58/53/25/489585325.db2.gz HTSIKHFSPGXCKK-UHFFFAOYSA-N 0 0 359.360 0.138 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000416377578 489586498 /nfs/dbraw/zinc/58/64/98/489586498.db2.gz XJHAOLRTBHENKK-UHFFFAOYSA-N 0 0 373.387 0.527 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000416411043 489590360 /nfs/dbraw/zinc/59/03/60/489590360.db2.gz IHQRVSCGEZXKHI-TVQRCGJNSA-N 0 0 358.372 0.821 10 5 FCBERN COC(=O)C1(O)CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416450054 489594119 /nfs/dbraw/zinc/59/41/19/489594119.db2.gz LERWSOWNFDKZEI-UHFFFAOYSA-N 0 0 372.399 0.900 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000416452240 489594350 /nfs/dbraw/zinc/59/43/50/489594350.db2.gz BRZNNAYYLKCJLR-CQSZACIVSA-N 0 0 358.372 0.821 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000416452238 489594358 /nfs/dbraw/zinc/59/43/58/489594358.db2.gz BRZNNAYYLKCJLR-AWEZNQCLSA-N 0 0 358.372 0.821 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N(C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000416456050 489594933 /nfs/dbraw/zinc/59/49/33/489594933.db2.gz LFKVCAAAEXLUJA-UHFFFAOYSA-N 0 0 358.372 0.917 10 5 FCBERN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c(C)cc1[N+](=O)[O-] ZINC000416455694 489595007 /nfs/dbraw/zinc/59/50/07/489595007.db2.gz UWADXEMXTGYRJZ-GFCCVEGCSA-N 0 0 371.415 0.425 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000416472148 489598064 /nfs/dbraw/zinc/59/80/64/489598064.db2.gz MQUYQTJVJDKXBO-VXGBXAGGSA-N 0 0 358.372 0.819 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000416476588 489598351 /nfs/dbraw/zinc/59/83/51/489598351.db2.gz YPTGGKNXDSFCGC-NOZJJQNGSA-N 0 0 358.372 0.773 10 5 FCBERN COC(=O)[C@@H]1[C@H](O)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416475178 489598611 /nfs/dbraw/zinc/59/86/11/489598611.db2.gz SXRSTJZNOGXKRK-OCCSQVGLSA-N 0 0 372.399 0.899 10 5 FCBERN CCN1C[C@H](NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)CC1=O ZINC000416491823 489600522 /nfs/dbraw/zinc/60/05/22/489600522.db2.gz AATXOEDIIZVRIF-SECBINFHSA-N 0 0 371.371 0.281 10 5 FCBERN CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427332630 489603198 /nfs/dbraw/zinc/60/31/98/489603198.db2.gz WHGQBIDJKOTMKC-GHMZBOCLSA-N 0 0 354.363 0.994 10 5 FCBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000427442123 489608555 /nfs/dbraw/zinc/60/85/55/489608555.db2.gz OILUVKOBHINYMV-GFCCVEGCSA-N 0 0 364.402 0.675 10 5 FCBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000427442124 489608800 /nfs/dbraw/zinc/60/88/00/489608800.db2.gz OILUVKOBHINYMV-LBPRGKRZSA-N 0 0 364.402 0.675 10 5 FCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)n1 ZINC000427618540 489615277 /nfs/dbraw/zinc/61/52/77/489615277.db2.gz QHZBKAZLJANDHX-ZYHUDNBSSA-N 0 0 356.404 0.993 10 5 FCBERN C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456596592 489620547 /nfs/dbraw/zinc/62/05/47/489620547.db2.gz ACLXRLQVBVBOGW-GHMZBOCLSA-N 0 0 358.358 0.669 10 5 FCBERN C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000416654227 489621463 /nfs/dbraw/zinc/62/14/63/489621463.db2.gz COVGOWKXXKTTQW-KBPBESRZSA-N 0 0 371.459 0.854 10 5 FCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1 ZINC000427816209 489621843 /nfs/dbraw/zinc/62/18/43/489621843.db2.gz HNOSSRSOQPMBIH-RYUDHWBXSA-N 0 0 367.406 0.815 10 5 FCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1 ZINC000427816205 489622081 /nfs/dbraw/zinc/62/20/81/489622081.db2.gz HNOSSRSOQPMBIH-NEPJUHHUSA-N 0 0 367.406 0.815 10 5 FCBERN C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000416655817 489622231 /nfs/dbraw/zinc/62/22/31/489622231.db2.gz DORCGKPZYAWVQY-STQMWFEESA-N 0 0 357.432 0.812 10 5 FCBERN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000416663501 489624288 /nfs/dbraw/zinc/62/42/88/489624288.db2.gz MCHXLUJNHORURZ-CHWSQXEVSA-N 0 0 357.432 0.979 10 5 FCBERN COCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC1 ZINC000427909891 489627879 /nfs/dbraw/zinc/62/78/79/489627879.db2.gz VNNPWBPEZOKEIX-GFCCVEGCSA-N 0 0 367.358 0.806 10 5 FCBERN CCOC(=O)c1cc(C(=O)N2CCN(CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000457079660 489634850 /nfs/dbraw/zinc/63/48/50/489634850.db2.gz AIKSUUKAKWBBBG-GFCCVEGCSA-N 0 0 365.386 0.910 10 5 FCBERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000428075457 489637131 /nfs/dbraw/zinc/63/71/31/489637131.db2.gz ZDKYJUXNHISGGB-UWVGGRQHSA-N 0 0 366.374 0.823 10 5 FCBERN C[C@H]1CN(CCO)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457129338 489637563 /nfs/dbraw/zinc/63/75/63/489637563.db2.gz QNJFHUFVCBDDFI-ZDUSSCGKSA-N 0 0 359.386 0.919 10 5 FCBERN CC1(C)[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000428309001 489644529 /nfs/dbraw/zinc/64/45/29/489644529.db2.gz KQBJIPKAGNKFEV-OLZOCXBDSA-N 0 0 371.415 0.539 10 5 FCBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCN1CCO ZINC000428529067 489652291 /nfs/dbraw/zinc/65/22/91/489652291.db2.gz SJWPWKWLKXTWPS-LBPRGKRZSA-N 0 0 369.443 0.818 10 5 FCBERN NC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000458040630 489667066 /nfs/dbraw/zinc/66/70/66/489667066.db2.gz BISOCXVLERNDQF-UHFFFAOYSA-N 0 0 374.275 0.383 10 5 FCBERN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458139645 489671792 /nfs/dbraw/zinc/67/17/92/489671792.db2.gz MWFZCEFZYLQKKC-GXSJLCMTSA-N 0 0 369.765 0.784 10 5 FCBERN CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000429262687 489678592 /nfs/dbraw/zinc/67/85/92/489678592.db2.gz GPOJLNPQOOBBPU-AWEZNQCLSA-N 0 0 361.358 0.867 10 5 FCBERN CCOC[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000489049049 489692341 /nfs/dbraw/zinc/69/23/41/489692341.db2.gz PSTLKEDBKSBLHR-NSHDSACASA-N 0 0 374.419 0.597 10 5 FCBERN Cc1cc([N+](=O)[O-])cn(CCOc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000489110693 489695220 /nfs/dbraw/zinc/69/52/20/489695220.db2.gz KHUCTTKSOOPUQZ-UHFFFAOYSA-N 0 0 353.356 0.791 10 5 FCBERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000489170046 489698930 /nfs/dbraw/zinc/69/89/30/489698930.db2.gz JFZJADZIFCQDKV-LBPRGKRZSA-N 0 0 350.375 0.616 10 5 FCBERN CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489886536 489733344 /nfs/dbraw/zinc/73/33/44/489733344.db2.gz SAOUKYBSXZYQGM-SECBINFHSA-N 0 0 356.356 0.830 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@](O)(CO)C1 ZINC000459642187 489744125 /nfs/dbraw/zinc/74/41/25/489744125.db2.gz GODCUMHGNXXZLE-BDJLRTHQSA-N 0 0 353.375 0.750 10 5 FCBERN C[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCN1CCO ZINC000490076004 489745243 /nfs/dbraw/zinc/74/52/43/489745243.db2.gz ZRSDVZDQMNNCNB-LBPRGKRZSA-N 0 0 372.447 0.348 10 5 FCBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CC(N)=O)C(=O)C1 ZINC000459697868 489747933 /nfs/dbraw/zinc/74/79/33/489747933.db2.gz KRJATEXOXRBEGF-UHFFFAOYSA-N 0 0 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372.399 0.838 10 5 FCBERN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000832093467 669883054 /nfs/dbraw/zinc/88/30/54/669883054.db2.gz FOLZUZQJNDOWKR-LBPRGKRZSA-N 0 0 352.315 0.994 10 5 FCBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000817146319 669999703 /nfs/dbraw/zinc/99/97/03/669999703.db2.gz FYYBRZRUYQPXSA-UHFFFAOYSA-N 0 0 355.372 0.982 10 5 FCBERN NC(=O)CN1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000840336773 670003415 /nfs/dbraw/zinc/00/34/15/670003415.db2.gz LMIMTCQYDLMHTR-UHFFFAOYSA-N 0 0 357.164 0.491 10 5 FCBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000837970351 670139204 /nfs/dbraw/zinc/13/92/04/670139204.db2.gz BDMSHNKJTUGHCE-UHFFFAOYSA-N 0 0 354.750 0.326 10 5 FCBERN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842753082 670725957 /nfs/dbraw/zinc/72/59/57/670725957.db2.gz BALRIQPOPCIVJA-ZDUSSCGKSA-N 0 0 358.372 0.859 10 5 FCBERN CCN(OC)C(=O)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000844068341 670892451 /nfs/dbraw/zinc/89/24/51/670892451.db2.gz KBKYTOCGTDQTIM-ZDUSSCGKSA-N 0 0 350.331 0.614 10 5 FCBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[C@]1(O)CCOC1 ZINC000846098921 671077895 /nfs/dbraw/zinc/07/78/95/671077895.db2.gz URPPNANUHNUJIO-HNNXBMFYSA-N 0 0 355.322 0.639 10 5 FCBERN CCON(C)C(=O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846134895 671083393 /nfs/dbraw/zinc/08/33/93/671083393.db2.gz KNPUBLDTOAOISL-UHFFFAOYSA-N 0 0 358.738 0.713 10 5 FCBERN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](CO)CN2CCOCC2)c1F ZINC000847140618 671172963 /nfs/dbraw/zinc/17/29/63/671172963.db2.gz QJUJRHPCHQPBNR-SNVBAGLBSA-N 0 0 359.329 0.604 10 5 FCBERN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCn2nncc2C1 ZINC000848269753 671264639 /nfs/dbraw/zinc/26/46/39/671264639.db2.gz JVDBXIBUGMDAAT-UHFFFAOYSA-N 0 0 353.136 1.000 10 5 FCBERN C[C@@H]1CS(=O)(=O)CCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480050 671279916 /nfs/dbraw/zinc/27/99/16/671279916.db2.gz MLIJVVCOOQLITD-IUODEOHRSA-N 0 0 367.427 0.987 10 5 FCBERN NC(=O)[C@H]1CC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)O1 ZINC000848584734 671284527 /nfs/dbraw/zinc/28/45/27/671284527.db2.gz GSNLOOBDVYEORY-GHMZBOCLSA-N 0 0 359.285 0.716 10 5 FCBERN CCOC(=O)N1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000849373026 671330523 /nfs/dbraw/zinc/33/05/23/671330523.db2.gz YEPWFDWAXYAQCK-UHFFFAOYSA-N 0 0 358.376 0.843 10 5 FCBERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC12COC2 ZINC000849394548 671335515 /nfs/dbraw/zinc/33/55/15/671335515.db2.gz CCWBBMYLMRBHRL-SNVBAGLBSA-N 0 0 371.371 0.190 10 5 FCBERN Cn1cc(CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nn1 ZINC000850218271 671376610 /nfs/dbraw/zinc/37/66/10/671376610.db2.gz CXXMHVMWCWMJLZ-UHFFFAOYSA-N 0 0 351.294 0.977 10 5 FCBERN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CO)(CO)C1 ZINC000851810131 671469380 /nfs/dbraw/zinc/46/93/80/671469380.db2.gz XHOOAFVAKBANMQ-UHFFFAOYSA-N 0 0 364.807 0.922 10 5 FCBERN O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[S@@](=O)CC(F)(F)F ZINC000852219626 671496828 /nfs/dbraw/zinc/49/68/28/671496828.db2.gz BDAWZOSDJBMZNI-HSZRJFAPSA-N 0 0 357.314 0.402 10 5 FCBERN CN(C)c1noc(CS(=O)(=O)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000853073057 671536714 /nfs/dbraw/zinc/53/67/14/671536714.db2.gz FMDRWUBQMRTKRG-NSHDSACASA-N 0 0 356.360 0.692 10 5 FCBERN CC(C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000853962441 671562106 /nfs/dbraw/zinc/56/21/06/671562106.db2.gz FOPZCGWPBITAFV-LLVKDONJSA-N 0 0 370.431 0.983 10 5 FCBERN O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N[C@@H]1COC(=O)C1 ZINC000854554320 671583591 /nfs/dbraw/zinc/58/35/91/671583591.db2.gz WUEIGPFEODGEQK-ZETCQYMHSA-N 0 0 355.253 0.465 10 5 FCBERN COC[C@@]1(C(=O)OC)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855377687 671639123 /nfs/dbraw/zinc/63/91/23/671639123.db2.gz WMOJASHJYPCHSW-CZUORRHYSA-N 0 0 352.343 0.809 10 5 FCBERN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000855474267 671646806 /nfs/dbraw/zinc/64/68/06/671646806.db2.gz SMLIZQBJNWMMKJ-MFCDUJOTSA-N 0 0 354.384 0.926 10 5 FCBERN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c(C)c(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000855957888 671672084 /nfs/dbraw/zinc/67/20/84/671672084.db2.gz IUOWXZKWARSPLN-BIMULSAOSA-N 0 0 372.374 0.926 10 5 FCBERN CNC(=O)[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000856766936 671701032 /nfs/dbraw/zinc/70/10/32/671701032.db2.gz QFAWNANVERKKRK-JTQLQIEISA-N 0 0 356.404 0.417 10 5 FCBERN CNC(=O)NC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CCO1 ZINC000858684529 671772632 /nfs/dbraw/zinc/77/26/32/671772632.db2.gz ZDNQKDMVFYRREN-LLVKDONJSA-N 0 0 351.363 0.089 10 5 FCBERN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000858793743 671777165 /nfs/dbraw/zinc/77/71/65/671777165.db2.gz NEJZSAABXYJBJP-NFULHVNHSA-N 0 0 359.429 0.732 10 5 FCBERN CNS(=O)(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000858864581 671780179 /nfs/dbraw/zinc/78/01/79/671780179.db2.gz AEQGKUJZPBYQSJ-SECBINFHSA-N 0 0 355.376 0.897 10 5 FCBERN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000858985666 671787364 /nfs/dbraw/zinc/78/73/64/671787364.db2.gz LCZQRCGQAYJOEP-GFCCVEGCSA-N 0 0 373.435 0.250 10 5 FCBERN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](c3nccn3C)C2)n1 ZINC000859134719 671795686 /nfs/dbraw/zinc/79/56/86/671795686.db2.gz FRECFLRJDYEQOK-SNVBAGLBSA-N 0 0 354.392 0.630 10 5 FCBERN CN(C)C(=O)O[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000859174597 671798172 /nfs/dbraw/zinc/79/81/72/671798172.db2.gz GQDOBDSILLAPEG-SECBINFHSA-N 0 0 361.380 0.180 10 5 FCBERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000859316589 671813716 /nfs/dbraw/zinc/81/37/16/671813716.db2.gz YCQXPKUWQMCQJU-SCZZXKLOSA-N 0 0 362.335 0.685 10 5 FCBERN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000859389793 671822126 /nfs/dbraw/zinc/82/21/26/671822126.db2.gz LSKCDEXOCCSQBZ-SECBINFHSA-N 0 0 361.351 0.307 10 5 FCBERN C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)N1C(=O)CCC1=O ZINC000859507577 671833192 /nfs/dbraw/zinc/83/31/92/671833192.db2.gz NENYAQWHRFCRNU-QMMMGPOBSA-N 0 0 352.274 0.997 10 5 FCBERN O=C(CN1CCCS1(=O)=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859509057 671833411 /nfs/dbraw/zinc/83/34/11/671833411.db2.gz FBPYHGMSSYIVQN-UHFFFAOYSA-N 0 0 360.319 0.495 10 5 FCBERN C[C@@H](CS(=O)(=O)N(C)C)OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000861148612 671941904 /nfs/dbraw/zinc/94/19/04/671941904.db2.gz DWYVFUJKISBEKO-QMMMGPOBSA-N 0 0 360.344 0.760 10 5 FCBERN COc1cc(OC)c(CNC(=O)Cn2ncc([N+](=O)[O-])n2)c(OC)c1 ZINC000863374376 672120331 /nfs/dbraw/zinc/12/03/31/672120331.db2.gz QYEVUGUVMHUTHA-UHFFFAOYSA-N 0 0 351.319 0.529 10 5 FCBERN CCON(C)C(=O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863512382 672132761 /nfs/dbraw/zinc/13/27/61/672132761.db2.gz AUGACCADGZIJKA-HNNXBMFYSA-N 0 0 350.331 0.772 10 5 FCBERN CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000863555683 672139304 /nfs/dbraw/zinc/13/93/04/672139304.db2.gz UUVHNFUOKWWIGN-JTQLQIEISA-N 0 0 361.351 0.124 10 5 FCBERN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000863592608 672141048 /nfs/dbraw/zinc/14/10/48/672141048.db2.gz PDCWDKZMQASWFM-GUWRXMSHSA-N 0 0 361.320 0.909 10 5 FCBERN Cc1nn(CN2CC[C@H](NS(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121197923 672289622 /nfs/dbraw/zinc/28/96/22/672289622.db2.gz PPYGGTARPQDZBE-NSHDSACASA-N 0 0 353.404 0.834 10 5 FCBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC000870072341 672468112 /nfs/dbraw/zinc/46/81/12/672468112.db2.gz MAHDAQXVJCYZMC-AWEZNQCLSA-N 0 0 350.375 0.471 10 5 FCBERN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000296931197 673725661 /nfs/dbraw/zinc/72/56/61/673725661.db2.gz GEUOCSXOHLHDEV-HIFRSBDPSA-N 0 0 355.416 0.997 10 5 FCBERN C[C@@](O)(CO)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000801975123 675815575 /nfs/dbraw/zinc/81/55/75/675815575.db2.gz BMCAQFRGSWZFGC-NSHDSACASA-N 0 0 351.128 0.970 10 5 FCBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(CCO)(CCO)CC1 ZINC001648791484 1168302200 /nfs/dbraw/zinc/30/22/00/1168302200.db2.gz VHGKKGXVBYKWHQ-UHFFFAOYSA-N 0 0 354.407 0.863 10 5 FCBERN CS(=O)(=O)c1cc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC001648860301 1169079107 /nfs/dbraw/zinc/07/91/07/1169079107.db2.gz GRZBIOGQPFAUDQ-JQWIXIFHSA-N 0 0 372.399 0.061 10 5 FCBERN COc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)ncn1 ZINC001746232405 1192357089 /nfs/dbraw/zinc/35/70/89/1192357089.db2.gz GYXOLDCMHBYLQA-ZYHUDNBSSA-N 0 0 363.374 0.309 10 5 FCBERN CC/C(C)=C\C(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001719776083 1179974205 /nfs/dbraw/zinc/97/42/05/1179974205.db2.gz UJDPVORTXMNYSO-WADSTATCSA-N 0 0 362.390 0.299 10 5 FCBERN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001648923325 1181283061 /nfs/dbraw/zinc/28/30/61/1181283061.db2.gz JXTSXIGSIPHUMS-PEBVRCNWSA-N 0 0 361.354 0.783 10 5 FCBERN CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccc1NC(C)=O ZINC001745308379 1181933426 /nfs/dbraw/zinc/93/34/26/1181933426.db2.gz NRZKDMGCPNTZRH-DGCLKSJQSA-N 0 0 363.374 0.284 10 5 FCBERN CCN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)c1ccnn1C ZINC000936414837 1183151327 /nfs/dbraw/zinc/15/13/27/1183151327.db2.gz LNSWPEAETHLULM-UKRRQHHQSA-N 0 0 363.418 0.786 10 5 FCBERN CCN(CC1CCN(C(=O)C2(C(N)=O)CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000936454404 1185873114 /nfs/dbraw/zinc/87/31/14/1185873114.db2.gz XTCBPSFHHVQZRD-CHWSQXEVSA-N 0 0 366.418 0.004 10 5 FCBERN CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(CC)n(C)n1 ZINC001745453299 1186591881 /nfs/dbraw/zinc/59/18/81/1186591881.db2.gz LQHIODVGJAQZMR-TZMCWYRMSA-N 0 0 351.407 0.616 10 5 FCBERN CCCN(CCNC(=O)c1ccc(N(C)C)nc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001745465503 1186599101 /nfs/dbraw/zinc/59/91/01/1186599101.db2.gz HQLRZQZADWKZSZ-ZIAGYGMSSA-N 0 0 363.418 0.781 10 5 FCBERN 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367.749 0.740 10 5 FCBERN COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001639510989 1282791360 /nfs/dbraw/zinc/79/13/60/1282791360.db2.gz ZPZILGLFGWOWKP-TVQRCGJNSA-N 0 0 365.321 0.787 10 5 FCBERN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cn(C2CCC2)nn1 ZINC001639564462 1282794741 /nfs/dbraw/zinc/79/47/41/1282794741.db2.gz VXOXRXFHLGHMHN-UHFFFAOYSA-N 0 0 358.358 0.958 10 5 FCBERN C[C@H]1[C@@H](O)CCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC001639915663 1282825220 /nfs/dbraw/zinc/82/52/20/1282825220.db2.gz DPODYQGRWRFNGQ-NHYWBVRUSA-N 0 0 371.415 0.575 10 5 FCBERN CC1(C)NC(=O)N(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1=O ZINC001640046601 1282836717 /nfs/dbraw/zinc/83/67/17/1282836717.db2.gz SAGYKTYQSXPIKT-UHFFFAOYSA-N 0 0 356.285 0.820 10 5 FCBERN Cc1n[nH]c(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC001640305316 1282853209 /nfs/dbraw/zinc/85/32/09/1282853209.db2.gz DYIZBYUNTMOCGK-UHFFFAOYSA-N 0 0 367.387 0.952 10 5 FCBERN 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0.870 10 5 FCBERN CCOC(=O)C1(COC)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000478464549 490021189 /nfs/dbraw/zinc/02/11/89/490021189.db2.gz FHDURAPSDMCAGY-UHFFFAOYSA-N 0 0 354.363 0.760 10 5 FCBERN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cncnc1 ZINC000421382497 490077484 /nfs/dbraw/zinc/07/74/84/490077484.db2.gz KVXOQHVGNXDZKN-UHFFFAOYSA-N 0 0 351.388 0.795 10 5 FCBERN Cn1ccnc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1=O ZINC000465224328 490094501 /nfs/dbraw/zinc/09/45/01/490094501.db2.gz LVUJMNDVOYHDGO-UHFFFAOYSA-N 0 0 357.370 0.580 10 5 FCBERN Cn1ccnc(N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)c1=O ZINC000465238139 490096059 /nfs/dbraw/zinc/09/60/59/490096059.db2.gz VPMDCRFCHOFANA-UHFFFAOYSA-N 0 0 373.369 0.416 10 5 FCBERN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1CC(C)(O)C1 ZINC000421977252 490123129 /nfs/dbraw/zinc/12/31/29/490123129.db2.gz FZMAJSBKUQEMHN-UHFFFAOYSA-N 0 0 371.415 0.493 10 5 FCBERN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](O)C1CCC1 ZINC000421988037 490123537 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/nfs/dbraw/zinc/87/60/23/491876023.db2.gz XFQHNKCMTDBSTG-OAHLLOKOSA-N 0 0 359.386 0.959 10 5 FCBERN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@H]2CCCS(=O)(=O)C2)C1=O ZINC000600690458 491876374 /nfs/dbraw/zinc/87/63/74/491876374.db2.gz KWYSYRBHFFAWMG-SWLSCSKDSA-N 0 0 367.383 0.939 10 5 FCBERN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](CO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000600774774 491881705 /nfs/dbraw/zinc/88/17/05/491881705.db2.gz HQFJNAVBYDORHB-VXGBXAGGSA-N 0 0 365.386 0.953 10 5 FCBERN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2cn(C)nn2)ccc1[N+](=O)[O-] ZINC000611973785 491887153 /nfs/dbraw/zinc/88/71/53/491887153.db2.gz PPSGQOVKQRAORJ-HNNXBMFYSA-N 0 0 372.385 0.953 10 5 FCBERN Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000595158622 491892228 /nfs/dbraw/zinc/89/22/28/491892228.db2.gz KSZGSPXBSAZLLP-PWSUYJOCSA-N 0 0 369.399 0.924 10 5 FCBERN O=C(NC[C@@H]1CCC(=O)N1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595176441 491896108 /nfs/dbraw/zinc/89/61/08/491896108.db2.gz FADJUOXIGWUHKN-ZETCQYMHSA-N 0 0 372.284 0.530 10 5 FCBERN COCC(=O)N1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601105011 491896890 /nfs/dbraw/zinc/89/68/90/491896890.db2.gz QJFUKZGFXVOJBQ-UHFFFAOYSA-N 0 0 351.285 0.642 10 5 FCBERN CN(CCN1CCCS1(=O)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612085383 491897098 /nfs/dbraw/zinc/89/70/98/491897098.db2.gz BYLYGEDGNDFHOQ-ZDUSSCGKSA-N 0 0 373.431 0.302 10 5 FCBERN CNC(=O)CN1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601278934 491901207 /nfs/dbraw/zinc/90/12/07/491901207.db2.gz LLVSCVOJUSOJCH-UHFFFAOYSA-N 0 0 360.414 0.907 10 5 FCBERN COC(=O)CC[C@H](C(=O)OC)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595287883 491912934 /nfs/dbraw/zinc/91/29/34/491912934.db2.gz OOHFSELPYJQRBW-CYBMUJFWSA-N 0 0 366.374 0.607 10 5 FCBERN CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@]1(O)CCCOC1 ZINC000595364853 491924446 /nfs/dbraw/zinc/92/44/46/491924446.db2.gz AUMWMUCHHWFJHQ-CQSZACIVSA-N 0 0 359.404 0.836 10 5 FCBERN 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CCN(CCCNC(=O)C(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001294486161 1262735387 /nfs/dbraw/zinc/73/53/87/1262735387.db2.gz USZTZDPMSVRVIB-ZIAGYGMSSA-N 0 0 362.386 0.645 10 5 FCBERN CCN(CCCNC(=O)c1cn2ccccc2n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001294542501 1262735617 /nfs/dbraw/zinc/73/56/17/1262735617.db2.gz VVAPDPBKIRNAHD-TZMCWYRMSA-N 0 0 359.386 0.968 10 5 FCBERN O=C(Cn1cccn1)NCc1ccc(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001295764954 1262779544 /nfs/dbraw/zinc/77/95/44/1262779544.db2.gz JMSDQAZXMHYAGP-HZPDHXFCSA-N 0 0 371.397 0.523 10 5 FCBERN CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1[nH]nc2c1CCCC2 ZINC001296301634 1262801242 /nfs/dbraw/zinc/80/12/42/1262801242.db2.gz XUQWYMNJYGLDMO-IUODEOHRSA-N 0 0 363.418 0.461 10 5 FCBERN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001296435982 1262812207 /nfs/dbraw/zinc/81/22/07/1262812207.db2.gz KHLBGODSTDHTDM-KGLIPLIRSA-N 0 0 369.349 0.938 10 5 FCBERN CCCN(CCNC(=O)c1cn(C)nc1C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001296507175 1262815098 /nfs/dbraw/zinc/81/50/98/1262815098.db2.gz ZWPJCGALHXNYQI-TZMCWYRMSA-N 0 0 363.418 0.931 10 5 FCBERN CCCN(CCNC(=O)c1cc2n(n1)CCCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001296513769 1262816152 /nfs/dbraw/zinc/81/61/52/1262816152.db2.gz MZLMHVUKCWKTAG-UKRRQHHQSA-N 0 0 363.418 0.853 10 5 FCBERN CN1C(=O)C[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1=O ZINC001296988788 1262845993 /nfs/dbraw/zinc/84/59/93/1262845993.db2.gz ZZJFHYIXMXEWHI-CYBMUJFWSA-N 0 0 357.326 0.327 10 5 FCBERN O=C(CCc1nc2ccccc2o1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001297049686 1262847401 /nfs/dbraw/zinc/84/74/01/1262847401.db2.gz OUDXWSUYVAUUTC-DGCLKSJQSA-N 0 0 358.354 0.753 10 5 FCBERN CN(CCC1CCN(C(=O)Cc2cnc[nH]2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001297935139 1262900648 /nfs/dbraw/zinc/90/06/48/1262900648.db2.gz ZJHMEEKRMAQPBS-HUUCEWRRSA-N 0 0 363.418 0.705 10 5 FCBERN Cc1nc2ccnn2cc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001298069709 1262908070 /nfs/dbraw/zinc/90/80/70/1262908070.db2.gz JZELJYLBPAERRM-DGCLKSJQSA-N 0 0 360.374 0.233 10 5 FCBERN O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(-n2ccnc2)nc1 ZINC001298396908 1262924667 /nfs/dbraw/zinc/92/46/67/1262924667.db2.gz LIKAWMBJPXRHAZ-GEYXIOIISA-N 0 0 370.369 0.335 10 5 FCBERN O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc2c(=O)ccoc2c1 ZINC001298394444 1262924691 /nfs/dbraw/zinc/92/46/91/1262924691.db2.gz PUDCZVYOVDILIY-GEYXIOIISA-N 0 0 371.349 0.860 10 5 FCBERN COCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)COC(C)C)CC1 ZINC001299281137 1262964108 /nfs/dbraw/zinc/96/41/08/1262964108.db2.gz SJAMODSGIRXNBI-HUUCEWRRSA-N 0 0 371.434 0.543 10 5 FCBERN Cn1cc(C[C@H](CO)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001299614468 1262971179 /nfs/dbraw/zinc/97/11/79/1262971179.db2.gz NPYHFSBSWKJFEL-CYBMUJFWSA-N 0 0 370.369 0.847 10 5 FCBERN CN(C)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC1 ZINC001300337195 1262987002 /nfs/dbraw/zinc/98/70/02/1262987002.db2.gz HPWFQBMQEWGXIG-UHFFFAOYSA-N 0 0 374.361 0.010 10 5 FCBERN Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001302563751 1263050449 /nfs/dbraw/zinc/05/04/49/1263050449.db2.gz YXPHPPGTGJRUMG-UHFFFAOYSA-N 0 0 367.406 0.864 10 5 FCBERN Cn1cc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(=O)[nH]c1=O ZINC001302802666 1263058747 /nfs/dbraw/zinc/05/87/47/1263058747.db2.gz MOJGGTGHZKHSIT-UHFFFAOYSA-N 0 0 357.326 0.665 10 5 FCBERN COC(=O)C1(O)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001302878397 1263064240 /nfs/dbraw/zinc/06/42/40/1263064240.db2.gz OSVQARSSDKMPHW-UHFFFAOYSA-N 0 0 363.370 0.558 10 5 FCBERN CCOC(=O)c1cc(C(=O)N[C@@H](CO)CC2OCCO2)cc([N+](=O)[O-])c1 ZINC001303206454 1263087084 /nfs/dbraw/zinc/08/70/84/1263087084.db2.gz MAQIHJMRGHNUFE-GFCCVEGCSA-N 0 0 368.342 0.625 10 5 FCBERN CN(C)c1n[nH]c(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001479203686 1263178485 /nfs/dbraw/zinc/17/84/85/1263178485.db2.gz ADFVBUQQXPIJON-UHFFFAOYSA-N 0 0 361.362 0.752 10 5 FCBERN C[C@@H](NC(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001479297147 1263182696 /nfs/dbraw/zinc/18/26/96/1263182696.db2.gz QSGHPXBGUHIBAF-MNOVXSKESA-N 0 0 356.404 0.976 10 5 FCBERN CNC(=O)NC[C@H]1CN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001479297515 1263182835 /nfs/dbraw/zinc/18/28/35/1263182835.db2.gz VIDWPAHXMVPMRN-RISCZKNCSA-N 0 0 365.390 0.995 10 5 FCBERN O=C(NCc1nnc2c(=O)[nH]ccn12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001479356189 1263186630 /nfs/dbraw/zinc/18/66/30/1263186630.db2.gz QLOREXPEDRZYNG-UHFFFAOYSA-N 0 0 369.341 0.594 10 5 FCBERN Cc1nnc(CNC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC001479499272 1263225217 /nfs/dbraw/zinc/22/52/17/1263225217.db2.gz KLAWCOVYVQMYBU-UHFFFAOYSA-N 0 0 373.373 0.689 10 5 FCBERN Cc1csc(NC(=O)CN(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001479771446 1263410435 /nfs/dbraw/zinc/41/04/35/1263410435.db2.gz YUESWCUUXWLRGD-GHMZBOCLSA-N 0 0 355.420 0.493 10 5 FCBERN CCc1nc(C)c(CN2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001479931330 1263417052 /nfs/dbraw/zinc/41/70/52/1263417052.db2.gz WFVRDQHQKIPMQM-ZIAGYGMSSA-N 0 0 365.434 0.444 10 5 FCBERN CCc1ccccc1C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001487032707 1263573305 /nfs/dbraw/zinc/57/33/05/1263573305.db2.gz QLCBMNBHKQOSQO-HUUCEWRRSA-N 0 0 361.398 0.607 10 5 FCBERN CCc1occc1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001487030758 1263574011 /nfs/dbraw/zinc/57/40/11/1263574011.db2.gz CTIYHLCAQLJZTD-VXGBXAGGSA-N 0 0 351.359 0.200 10 5 FCBERN Cc1cnc(COCC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001487421534 1263603354 /nfs/dbraw/zinc/60/33/54/1263603354.db2.gz QIJFNDKCWNLLKS-FDYHWXHSSA-N 0 0 366.374 0.176 10 5 FCBERN CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nnc2ccccc2n1 ZINC001492349254 1263649334 /nfs/dbraw/zinc/64/93/34/1263649334.db2.gz MLKIEAYHUZDUII-ZWNOBZJWSA-N 0 0 358.358 0.268 10 5 FCBERN CC(C)(C(=O)NCCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001493130525 1263703313 /nfs/dbraw/zinc/70/33/13/1263703313.db2.gz BSDXITPJMMOONP-HUUCEWRRSA-N 0 0 366.462 0.738 10 5 FCBERN CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001493440304 1263724039 /nfs/dbraw/zinc/72/40/39/1263724039.db2.gz RHBYCIXBHCIURG-UKRRQHHQSA-N 0 0 363.418 0.929 10 5 FCBERN O=C(CCCc1ccccn1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21 ZINC001494475632 1263771077 /nfs/dbraw/zinc/77/10/77/1263771077.db2.gz JSBDNIGERHHQCF-GAGVYUBLSA-N 0 0 358.398 0.643 10 5 FCBERN COc1ccc(OC)c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001496015760 1263849427 /nfs/dbraw/zinc/84/94/27/1263849427.db2.gz JAKCNVPGBVUTSC-DGCLKSJQSA-N 0 0 351.359 0.557 10 5 FCBERN CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1scc2c1OCCO2 ZINC001496013268 1263850701 /nfs/dbraw/zinc/85/07/01/1263850701.db2.gz RFBAZHHMWMEPOS-RKDXNWHRSA-N 0 0 355.372 0.373 10 5 FCBERN CC(C)CCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001496563329 1263883119 /nfs/dbraw/zinc/88/31/19/1263883119.db2.gz CJMDGBDNEQLAMN-DGCLKSJQSA-N 0 0 352.395 0.178 10 5 FCBERN CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nncc2ccccc21 ZINC001496739269 1263891454 /nfs/dbraw/zinc/89/14/54/1263891454.db2.gz BQCLIYNMHPNRHX-ZIAGYGMSSA-N 0 0 357.370 0.873 10 5 FCBERN CCCN(CCNC(=O)c1cccc2ncnn21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497284008 1263923163 /nfs/dbraw/zinc/92/31/63/1263923163.db2.gz PVXWTWNPCYBNLA-DGCLKSJQSA-N 0 0 360.374 0.363 10 5 FCBERN O=C(Cc1noc(C[C@H]2COC(=O)C2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC001321239249 1263923497 /nfs/dbraw/zinc/92/34/97/1263923497.db2.gz RJWUXQDAQHHZDY-LLVKDONJSA-N 0 0 360.326 0.942 10 5 FCBERN O=C(NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1cnc2nccn2c1 ZINC001497486277 1263934683 /nfs/dbraw/zinc/93/46/83/1263934683.db2.gz YYAVJXQKMHZUAE-CHWSQXEVSA-N 0 0 358.358 0.115 10 5 FCBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCCCN1CCCC1=O ZINC001321529083 1263984602 /nfs/dbraw/zinc/98/46/02/1263984602.db2.gz WNPLYKCPCZHXPJ-UHFFFAOYSA-N 0 0 362.386 0.682 10 5 FCBERN O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCNC(=O)CC1 ZINC001322017365 1264130719 /nfs/dbraw/zinc/13/07/19/1264130719.db2.gz GFSVAZKMULUWPD-UHFFFAOYSA-N 0 0 360.326 0.210 10 5 FCBERN O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cn(-c2ccccc2)cn1 ZINC001501852096 1264145832 /nfs/dbraw/zinc/14/58/32/1264145832.db2.gz MXRILRINFVECDA-ATQQARJTSA-N 0 0 369.381 0.940 10 5 FCBERN CC(C)c1nc(CNCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)no1 ZINC001502623842 1264178341 /nfs/dbraw/zinc/17/83/41/1264178341.db2.gz RFAZUESFIIIDKJ-VXGBXAGGSA-N 0 0 367.406 0.613 10 5 FCBERN O=C(NC1(CO)CCN(C/C(Cl)=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505376238 1264270691 /nfs/dbraw/zinc/27/06/91/1264270691.db2.gz IWKGTMIHTJQDEU-GOLMWGNGSA-N 0 0 352.218 0.914 10 5 FCBERN CC(C)(C)n1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001506049094 1264286396 /nfs/dbraw/zinc/28/63/96/1264286396.db2.gz NPGVNTWJLRKKKX-MWLCHTKSSA-N 0 0 350.379 0.077 10 5 FCBERN Cc1ccc2n[nH]cc2c1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506048809 1264287491 /nfs/dbraw/zinc/28/74/91/1264287491.db2.gz BLMYBYWAJLODEA-ZWNOBZJWSA-N 0 0 357.370 0.915 10 5 FCBERN CO[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC001322924441 1264294906 /nfs/dbraw/zinc/29/49/06/1264294906.db2.gz WWZWVZDEOROAEZ-DOMZBBRYSA-N 0 0 365.386 0.973 10 5 FCBERN Cc1cc(C)n(CCCC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001506285578 1264307395 /nfs/dbraw/zinc/30/73/95/1264307395.db2.gz CFXJUPUWHXDAJZ-HUUCEWRRSA-N 0 0 363.418 0.615 10 5 FCBERN C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001323244914 1264376245 /nfs/dbraw/zinc/37/62/45/1264376245.db2.gz HFWIXCZRVMDEMJ-YPMHNXCESA-N 0 0 365.390 0.496 10 5 FCBERN C[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001323244908 1264376450 /nfs/dbraw/zinc/37/64/50/1264376450.db2.gz HFWIXCZRVMDEMJ-DGCLKSJQSA-N 0 0 365.390 0.496 10 5 FCBERN CC(C)N(CCN(C)Cc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001507786721 1264388250 /nfs/dbraw/zinc/38/82/50/1264388250.db2.gz GGUJJMMHJOOIRV-CHWSQXEVSA-N 0 0 367.454 0.762 10 5 FCBERN Cc1cc(C(=O)NC2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)no1 ZINC001323392347 1264418853 /nfs/dbraw/zinc/41/88/53/1264418853.db2.gz MKHQAEMSXZSCHM-UHFFFAOYSA-N 0 0 362.346 0.659 10 5 FCBERN CC(C)c1ocnc1C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001509161621 1264439112 /nfs/dbraw/zinc/43/91/12/1264439112.db2.gz CQKIDMCVZRCFKR-GHMZBOCLSA-N 0 0 366.374 0.156 10 5 FCBERN O=C(CC1(O)CCC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001509272941 1264449872 /nfs/dbraw/zinc/44/98/72/1264449872.db2.gz UVPNKZSGEOENEL-CHWSQXEVSA-N 0 0 353.419 0.892 10 5 FCBERN Cc1ccc(CNC(=O)CN2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001323921921 1264540926 /nfs/dbraw/zinc/54/09/26/1264540926.db2.gz VWNDDXJMZFTDGJ-HZPDHXFCSA-N 0 0 360.414 0.419 10 5 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O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC001326551766 1265132974 /nfs/dbraw/zinc/13/29/74/1265132974.db2.gz UXIWTPDAPOALMD-LBPRGKRZSA-N 0 0 358.358 0.061 10 5 FCBERN Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)n1 ZINC001327102832 1265235060 /nfs/dbraw/zinc/23/50/60/1265235060.db2.gz JHRBEWVDGRKXEQ-SNVBAGLBSA-N 0 0 368.346 0.428 10 5 FCBERN O=C(Cn1cc(C2CC2)cn1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001514869446 1265381102 /nfs/dbraw/zinc/38/11/02/1265381102.db2.gz IUUNLSGBPVNEDY-AQNFWKISSA-N 0 0 361.402 0.437 10 5 FCBERN Cc1c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]nc1C(F)(F)F ZINC001522901287 1266588134 /nfs/dbraw/zinc/58/81/34/1266588134.db2.gz HHSOXMPSYBGTAR-HTQZYQBOSA-N 0 0 363.296 0.638 10 5 FCBERN COc1cccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1OC ZINC001522901524 1266589166 /nfs/dbraw/zinc/58/91/66/1266589166.db2.gz MNCNWSCBKQARIA-VXGBXAGGSA-N 0 0 351.359 0.605 10 5 FCBERN 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0.727 10 5 FCBERN CC(C)NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000292361062 214095435 /nfs/dbraw/zinc/09/54/35/214095435.db2.gz RACCISIZGCKXGO-LLVKDONJSA-N 0 0 350.375 0.696 10 5 FCBERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294712087 214261445 /nfs/dbraw/zinc/26/14/45/214261445.db2.gz YCBBXVSRZCFDIW-QWHCGFSZSA-N 0 0 361.354 0.688 10 5 FCBERN CC[C@H](CO)N1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000266208096 529388027 /nfs/dbraw/zinc/38/80/27/529388027.db2.gz LUCBBLYVMQAJIE-GFCCVEGCSA-N 0 0 372.447 0.396 10 5 FCBERN CN1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000265840943 210233599 /nfs/dbraw/zinc/23/35/99/210233599.db2.gz UGOUYXINIDKEFE-SECBINFHSA-N 0 0 354.750 0.924 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000265846675 210232882 /nfs/dbraw/zinc/23/28/82/210232882.db2.gz VHTUJHDOLQLJQR-SECBINFHSA-N 0 0 350.331 0.279 10 5 FCBERN CN(C)c1noc(C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)n1 ZINC000302841685 214770122 /nfs/dbraw/zinc/77/01/22/214770122.db2.gz MFXKWUOZSCBVJT-UHFFFAOYSA-N 0 0 361.362 0.922 10 5 FCBERN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000411948287 529730231 /nfs/dbraw/zinc/73/02/31/529730231.db2.gz MKULPNACFYPBSA-QMTHXVAHSA-N 0 0 351.359 0.704 10 5 FCBERN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000128729810 529730674 /nfs/dbraw/zinc/73/06/74/529730674.db2.gz UZOFESHETCOQKU-ZIAGYGMSSA-N 0 0 355.416 0.861 10 5 FCBERN C[C@@H](O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265598547 210176367 /nfs/dbraw/zinc/17/63/67/210176367.db2.gz LRUIQGLNWLLKEQ-BXUZGUMPSA-N 0 0 371.415 0.635 10 5 FCBERN CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000265366831 210108322 /nfs/dbraw/zinc/10/83/22/210108322.db2.gz XAJJTVIDNHYKPX-LLVKDONJSA-N 0 0 372.403 0.303 10 5 FCBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000265325670 210097531 /nfs/dbraw/zinc/09/75/31/210097531.db2.gz 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CCOC(=O)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)CC1 ZINC000284210654 213098650 /nfs/dbraw/zinc/09/86/50/213098650.db2.gz LWGGSPZSBBISHP-UHFFFAOYSA-N 0 0 366.374 0.802 10 5 FCBERN CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2cnccn2)CC1 ZINC000364668804 215707257 /nfs/dbraw/zinc/70/72/57/215707257.db2.gz BFXTWNGSYGOGGM-UHFFFAOYSA-N 0 0 372.385 0.674 10 5 FCBERN CCN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1=O ZINC000364912975 215744935 /nfs/dbraw/zinc/74/49/35/215744935.db2.gz DFBXNQUDBYQXMX-UHFFFAOYSA-N 0 0 357.388 0.846 10 5 FCBERN CC(C)[C@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000283859175 213021861 /nfs/dbraw/zinc/02/18/61/213021861.db2.gz DCSJVIFKUBLGKD-OAHLLOKOSA-N 0 0 357.432 0.918 10 5 FCBERN COc1c(F)cc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000365309065 215810357 /nfs/dbraw/zinc/81/03/57/215810357.db2.gz IJVFKQFVDOWUGR-CQSZACIVSA-N 0 0 373.362 0.643 10 5 FCBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000411354506 236956022 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FCBERN CS(=O)(=O)c1cc(C(=O)N2CCN3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000195338246 209337567 /nfs/dbraw/zinc/33/75/67/209337567.db2.gz LDRXCVLOZVWTFP-GFCCVEGCSA-N 0 0 353.400 0.919 10 5 FCBERN CS(=O)(=O)c1cc(C(=O)N2CC(F)(F)C[C@H]2CO)cc([N+](=O)[O-])c1 ZINC000368420702 216245154 /nfs/dbraw/zinc/24/51/54/216245154.db2.gz WOCNKYHKHRWRQL-JTQLQIEISA-N 0 0 364.326 0.840 10 5 FCBERN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000368414921 216245861 /nfs/dbraw/zinc/24/58/61/216245861.db2.gz WRVYIQBXIJXWNL-QWRGUYRKSA-N 0 0 352.347 0.986 10 5 FCBERN Cc1cc(C)c(S(=O)(=O)N2CCCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000191981392 209292283 /nfs/dbraw/zinc/29/22/83/209292283.db2.gz NBJURUCXCGCIOU-UHFFFAOYSA-N 0 0 357.432 0.900 10 5 FCBERN CN(C)c1cc(F)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000279221916 212526784 /nfs/dbraw/zinc/52/67/84/212526784.db2.gz PBDWDORUFQFITP-SECBINFHSA-N 0 0 374.394 0.564 10 5 FCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(=O)NC(C)C)CC2)n1 ZINC000191471625 209286824 /nfs/dbraw/zinc/28/68/24/209286824.db2.gz UIHKRAKDRJRKQL-UHFFFAOYSA-N 0 0 352.395 0.094 10 5 FCBERN O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000278844649 212491833 /nfs/dbraw/zinc/49/18/33/212491833.db2.gz WGGIQASXJSBYKQ-CYBMUJFWSA-N 0 0 372.334 0.097 10 5 FCBERN C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000188730181 209236389 /nfs/dbraw/zinc/23/63/89/209236389.db2.gz JQKIJNSSTZWNEA-CYBMUJFWSA-N 0 0 357.432 0.466 10 5 FCBERN O=C(NC1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000188483216 209231797 /nfs/dbraw/zinc/23/17/97/209231797.db2.gz ITVMCCWWPJTQGL-UHFFFAOYSA-N 0 0 370.369 0.916 10 5 FCBERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000277014653 212318743 /nfs/dbraw/zinc/31/87/43/212318743.db2.gz IUSFXURDCYWCMZ-GFCCVEGCSA-N 0 0 360.388 0.802 10 5 FCBERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000276859942 212300257 /nfs/dbraw/zinc/30/02/57/212300257.db2.gz AOQXLHXMRPJOBA-LBPRGKRZSA-N 0 0 360.388 0.802 10 5 FCBERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc([N+](=O)[O-])c1F ZINC000187929452 209221698 /nfs/dbraw/zinc/22/16/98/209221698.db2.gz RVYHOEWXSSPXIF-UHFFFAOYSA-N 0 0 357.363 0.941 10 5 FCBERN CCO[C@@H]1C[C@@](NC(=O)Cn2ccc([N+](=O)[O-])n2)(C(=O)OC)C1(C)C ZINC000275697828 212075191 /nfs/dbraw/zinc/07/51/91/212075191.db2.gz UWZMIINHHKTYLM-MEBBXXQBSA-N 0 0 354.363 0.654 10 5 FCBERN COCCN1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000372732969 216937695 /nfs/dbraw/zinc/93/76/95/216937695.db2.gz UCSRPNDIIPXCMC-UHFFFAOYSA-N 0 0 371.415 0.773 10 5 FCBERN CCO[C@@H]1C[C@](NC(=O)Cn2cc([N+](=O)[O-])nc2C)(C(=O)OC)C1(C)C ZINC000275585826 212056494 /nfs/dbraw/zinc/05/64/94/212056494.db2.gz KUZGOQZWIPEREF-BZNIZROVSA-N 0 0 368.390 0.963 10 5 FCBERN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000373585200 217035265 /nfs/dbraw/zinc/03/52/65/217035265.db2.gz XLSKXKLJEOXZLE-LLVKDONJSA-N 0 0 364.358 0.406 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374145607 217101264 /nfs/dbraw/zinc/10/12/64/217101264.db2.gz UKZUMLXRFPBUMV-CKYFFXLPSA-N 0 0 369.399 0.891 10 5 FCBERN COC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(-c3cnn(C)c3)no2)c1=O ZINC000183993868 209156237 /nfs/dbraw/zinc/15/62/37/209156237.db2.gz PENPDNLOMLGYRS-UHFFFAOYSA-N 0 0 359.298 0.980 10 5 FCBERN COc1ccc(C(=O)NCC(=O)N2CCn3cc(C)nc3C2)cc1[N+](=O)[O-] ZINC000374678240 217156336 /nfs/dbraw/zinc/15/63/36/217156336.db2.gz KZXWVEJZKATUCF-UHFFFAOYSA-N 0 0 373.369 0.881 10 5 FCBERN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCN2CCOC[C@@H]2C1 ZINC000374970256 217197794 /nfs/dbraw/zinc/19/77/94/217197794.db2.gz NRDKIOKWYPLBAY-AWEZNQCLSA-N 0 0 358.358 0.332 10 5 FCBERN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCc1nnc2n1CCCC2 ZINC000182095864 209126299 /nfs/dbraw/zinc/12/62/99/209126299.db2.gz VTHOPVJPPVILDU-UHFFFAOYSA-N 0 0 372.385 0.611 10 5 FCBERN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CO)c2ccnn2C)c1C ZINC000416550589 245594132 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O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccc(N2CCOCC2)n1 ZINC000274723193 488730040 /nfs/dbraw/zinc/73/00/40/488730040.db2.gz AWBCKWVQEVTHTF-UHFFFAOYSA-N 0 0 373.369 0.305 10 5 FCBERN O=C([O-])[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275064453 488757879 /nfs/dbraw/zinc/75/78/79/488757879.db2.gz ZONYMTPLKXKUHQ-NSHDSACASA-N 0 0 357.388 0.812 10 5 FCBERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000275249898 488776769 /nfs/dbraw/zinc/77/67/69/488776769.db2.gz HQBNHBZTOXPLEZ-UHFFFAOYSA-N 0 0 357.388 0.517 10 5 FCBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCN(CCO)CC1 ZINC000158729446 488780108 /nfs/dbraw/zinc/78/01/08/488780108.db2.gz HHNBHIVCLPJNBT-UHFFFAOYSA-N 0 0 363.823 0.937 10 5 FCBERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000170924830 488817987 /nfs/dbraw/zinc/81/79/87/488817987.db2.gz OYEFAXHCFBNRDU-CQSZACIVSA-N 0 0 363.418 0.757 10 5 FCBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000172854678 488839018 /nfs/dbraw/zinc/83/90/18/488839018.db2.gz CZBZTWKMUJAUSW-CYBMUJFWSA-N 0 0 358.358 0.957 10 5 FCBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000173539332 488843561 /nfs/dbraw/zinc/84/35/61/488843561.db2.gz QNKUKSXOQJLHGR-NSHDSACASA-N 0 0 361.445 0.999 10 5 FCBERN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000174001845 488846911 /nfs/dbraw/zinc/84/69/11/488846911.db2.gz GFPANVVMGOVQQV-CYBMUJFWSA-N 0 0 355.416 0.998 10 5 FCBERN Cc1cc(N2CCC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2=O)n(C)n1 ZINC000174976476 488852497 /nfs/dbraw/zinc/85/24/97/488852497.db2.gz XQFUZTRCDZRHQT-LLVKDONJSA-N 0 0 361.362 0.145 10 5 FCBERN CNC(=O)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280518595 489015401 /nfs/dbraw/zinc/01/54/01/489015401.db2.gz CEHSMKVXJNCGFZ-UHFFFAOYSA-N 0 0 373.163 0.466 10 5 FCBERN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000554825182 491228275 /nfs/dbraw/zinc/22/82/75/491228275.db2.gz RTNOZOBAMKROKN-CQSZACIVSA-N 0 0 372.385 0.536 10 5 FCBERN CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000365281013 489058674 /nfs/dbraw/zinc/05/86/74/489058674.db2.gz UDJNNTHFWGJDLW-MRVPVSSYSA-N 0 0 369.446 0.359 10 5 FCBERN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000281786150 489106241 /nfs/dbraw/zinc/10/62/41/489106241.db2.gz ZVBJMOXZSZDZAT-JTQLQIEISA-N 0 0 364.358 0.669 10 5 FCBERN CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330497584 489109237 /nfs/dbraw/zinc/10/92/37/489109237.db2.gz YDJDFWZFXUKKHA-GFCCVEGCSA-N 0 0 371.415 0.853 10 5 FCBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000365781544 489112842 /nfs/dbraw/zinc/11/28/42/489112842.db2.gz LBDCLGMMXNEMDK-UHFFFAOYSA-N 0 0 371.419 0.253 10 5 FCBERN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN2CCOC[C@@H]2C1 ZINC000365817570 489116994 /nfs/dbraw/zinc/11/69/94/489116994.db2.gz QWBZKYFHUAYUQX-LBPRGKRZSA-N 0 0 360.374 0.697 10 5 FCBERN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)n1 ZINC000330655408 489128700 /nfs/dbraw/zinc/12/87/00/489128700.db2.gz MPHNFXYGOBUDTG-UHFFFAOYSA-N 0 0 353.276 0.987 10 5 FCBERN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCCO2)cc1[N+](=O)[O-] ZINC000290347538 489133347 /nfs/dbraw/zinc/13/33/47/489133347.db2.gz CXXUALVTMPEIBT-UHFFFAOYSA-N 0 0 372.403 0.857 10 5 FCBERN Cc1nn(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000330763080 489141253 /nfs/dbraw/zinc/14/12/53/489141253.db2.gz OLTANONMTZEHCZ-GFCCVEGCSA-N 0 0 358.420 0.771 10 5 FCBERN COC(=O)CC[C@@]1(C)NC(=O)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000290774647 489164660 /nfs/dbraw/zinc/16/46/60/489164660.db2.gz MAJGAGXUCIKMEB-MLGOLLRUSA-N 0 0 365.342 0.892 10 5 FCBERN COC(=O)CC[C@]1(C)NC(=O)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000290774649 489164952 /nfs/dbraw/zinc/16/49/52/489164952.db2.gz MAJGAGXUCIKMEB-WBMJQRKESA-N 0 0 365.342 0.892 10 5 FCBERN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000282507829 489170636 /nfs/dbraw/zinc/17/06/36/489170636.db2.gz NRRPAZXGUIENHA-INIZCTEOSA-N 0 0 367.333 0.999 10 5 FCBERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331372121 489202672 /nfs/dbraw/zinc/20/26/72/489202672.db2.gz JAGRPCCJBWUTDI-YPMHNXCESA-N 0 0 365.415 0.924 10 5 FCBERN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCNC[C@@H]1C(F)F ZINC000368004357 489214042 /nfs/dbraw/zinc/21/40/42/489214042.db2.gz CODPMNKLNKYWNS-GFCCVEGCSA-N 0 0 352.301 0.855 10 5 FCBERN COCC(=O)N1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000283680236 489290712 /nfs/dbraw/zinc/29/07/12/489290712.db2.gz XOQGHCQOCQCQKQ-UHFFFAOYSA-N 0 0 352.347 0.380 10 5 FCBERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC000298425438 489324825 /nfs/dbraw/zinc/32/48/25/489324825.db2.gz MELICMSPUUBPIN-UHFFFAOYSA-N 0 0 356.342 0.446 10 5 FCBERN COc1ccc(C(=O)NCC(=O)N(C)[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000285883927 489330424 /nfs/dbraw/zinc/33/04/24/489330424.db2.gz CMIXVVVEDDVGKT-TXEJJXNPSA-N 0 0 351.359 0.969 10 5 FCBERN CCOCCCNC(=O)Cc1noc(-c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000350233432 489336013 /nfs/dbraw/zinc/33/60/13/489336013.db2.gz ULGXFYHEVAIRKJ-UHFFFAOYSA-N 0 0 352.351 0.947 10 5 FCBERN CCOC(=O)C1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CCOCC1 ZINC000350265871 489337595 /nfs/dbraw/zinc/33/75/95/489337595.db2.gz KKTYYRJLQOTXLC-UHFFFAOYSA-N 0 0 351.319 0.990 10 5 FCBERN COc1cccc(N2C[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])CC2=O)c1 ZINC000362032208 489372798 /nfs/dbraw/zinc/37/27/98/489372798.db2.gz JSYJRKIQCGLGCE-SNVBAGLBSA-N 0 0 359.342 0.872 10 5 FCBERN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(CCCOC2)C1 ZINC000286390853 489386579 /nfs/dbraw/zinc/38/65/79/489386579.db2.gz OPXYKQVSXRMWMH-KRWDZBQOSA-N 0 0 363.370 0.733 10 5 FCBERN O=C1[C@H](N2CC[C@H]3OCC(=O)N[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000370706110 489391446 /nfs/dbraw/zinc/39/14/46/489391446.db2.gz LIKABVRWWFCPHY-RBSFLKMASA-N 0 0 360.370 0.289 10 5 FCBERN CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000362773503 489396843 /nfs/dbraw/zinc/39/68/43/489396843.db2.gz DJDXJYLQNNJZOM-UHFFFAOYSA-N 0 0 369.446 0.359 10 5 FCBERN CNC(=O)c1ccc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000286614721 489410251 /nfs/dbraw/zinc/41/02/51/489410251.db2.gz QOGRLWCQGLGSLH-LBPRGKRZSA-N 0 0 370.431 0.815 10 5 FCBERN CNC(=O)CN1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363154559 489430259 /nfs/dbraw/zinc/43/02/59/489430259.db2.gz SSSOKKULDISTCD-CYBMUJFWSA-N 0 0 363.418 0.676 10 5 FCBERN CNC(=O)CN1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363154817 489430367 /nfs/dbraw/zinc/43/03/67/489430367.db2.gz ZNMSLFNEZDVVES-ZDUSSCGKSA-N 0 0 363.418 0.676 10 5 FCBERN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nnc2n1CCCCC2 ZINC000363154606 489430563 /nfs/dbraw/zinc/43/05/63/489430563.db2.gz UVVIYYQZHKFERO-LLVKDONJSA-N 0 0 360.374 0.952 10 5 FCBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000363164087 489432198 /nfs/dbraw/zinc/43/21/98/489432198.db2.gz IBKWPUKDRDVPFK-CYBMUJFWSA-N 0 0 356.338 0.678 10 5 FCBERN C[C@]1(C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)NC(=O)NC1=O ZINC000371344421 489478876 /nfs/dbraw/zinc/47/88/76/489478876.db2.gz MFUJXZNJRDHDFJ-OAHLLOKOSA-N 0 0 359.346 0.452 10 5 FCBERN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000371460398 489485025 /nfs/dbraw/zinc/48/50/25/489485025.db2.gz XYYZJPMKDFZIIV-VIFPVBQESA-N 0 0 369.337 0.588 10 5 FCBERN COc1cc(S(=O)(=O)NC[C@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000451670610 489516593 /nfs/dbraw/zinc/51/65/93/489516593.db2.gz OTJBERQTYXKFDR-GFCCVEGCSA-N 0 0 373.431 0.729 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCO)[C@H]1CCO[C@H]1C ZINC000452013895 489537933 /nfs/dbraw/zinc/53/79/33/489537933.db2.gz GYOGZWYMSXHPBY-JQWIXIFHSA-N 0 0 360.388 0.764 10 5 FCBERN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 ZINC000452029636 489539805 /nfs/dbraw/zinc/53/98/05/489539805.db2.gz DRXYTRVICGQCAH-OLZOCXBDSA-N 0 0 360.413 0.935 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(S(C)(=O)=O)C1 ZINC000452072547 489543174 /nfs/dbraw/zinc/54/31/74/489543174.db2.gz VHCKENBZQVWLBL-UHFFFAOYSA-N 0 0 350.374 0.021 10 5 FCBERN Cc1ccc(C)c(S(=O)(=O)N2CCN(CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000452101404 489545649 /nfs/dbraw/zinc/54/56/49/489545649.db2.gz GLMVYVWNAXTEKC-CYBMUJFWSA-N 0 0 357.432 0.899 10 5 FCBERN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCO)C[C@@H]1C ZINC000452104771 489546857 /nfs/dbraw/zinc/54/68/57/489546857.db2.gz KQGCBLKMFSRDTN-NSHDSACASA-N 0 0 359.404 0.291 10 5 FCBERN CN(CC(=O)N[C@H]1C[C@@](C)(O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416278784 489576755 /nfs/dbraw/zinc/57/67/55/489576755.db2.gz XGDZNPSQYXTJQR-WJONMLJTSA-N 0 0 357.388 0.245 10 5 FCBERN COC[C@@H](CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)OC ZINC000416458286 489595060 /nfs/dbraw/zinc/59/50/60/489595060.db2.gz PQRMPWBLTPSTJI-SECBINFHSA-N 0 0 362.360 0.321 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000416460305 489595691 /nfs/dbraw/zinc/59/56/91/489595691.db2.gz 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/nfs/dbraw/zinc/17/72/66/1292177266.db2.gz ZGTVBVLBAGEUHI-LLVKDONJSA-N 0 0 353.379 0.829 10 5 FCBERN CO[C@@]1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001676218913 1292197212 /nfs/dbraw/zinc/19/72/12/1292197212.db2.gz LDZLRLGXVAIUPJ-OAHLLOKOSA-N 0 0 371.415 0.940 10 5 FCBERN CC(C)(C)CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001677562506 1292238542 /nfs/dbraw/zinc/23/85/42/1292238542.db2.gz LCZNXBYQYIWUDX-HUUCEWRRSA-N 0 0 366.462 0.952 10 5 FCBERN CCc1n[nH]cc1C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001678028443 1292249556 /nfs/dbraw/zinc/24/95/56/1292249556.db2.gz YFBCUZLRFRYULX-ZWNOBZJWSA-N 0 0 351.407 0.852 10 5 FCBERN CCc1c[nH]c(CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001678023289 1292249877 /nfs/dbraw/zinc/24/98/77/1292249877.db2.gz PEDFRHGTQOAJBD-CHWSQXEVSA-N 0 0 365.434 0.781 10 5 FCBERN COCC1(CC(=O)N2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 ZINC001679001116 1292288707 /nfs/dbraw/zinc/28/87/07/1292288707.db2.gz HYJUCIBGXGASPC-ZIAGYGMSSA-N 0 0 365.430 0.919 10 5 FCBERN Cc1c(CNC(=O)N2CCC(O)(COCCO)CC2)cccc1[N+](=O)[O-] ZINC001686099244 1292766662 /nfs/dbraw/zinc/76/66/62/1292766662.db2.gz SNTVIGUWWPQHOE-UHFFFAOYSA-N 0 0 367.402 0.949 10 5 FCBERN CCOc1ccc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001687503929 1292989826 /nfs/dbraw/zinc/98/98/26/1292989826.db2.gz KAWCDFRCNVATSF-CHWSQXEVSA-N 0 0 350.375 0.724 10 5 FCBERN CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nnn(C(C)C)c1C ZINC001687711417 1293002851 /nfs/dbraw/zinc/00/28/51/1293002851.db2.gz MHLPEBLPTMCJRE-CHWSQXEVSA-N 0 0 366.422 0.801 10 5 FCBERN CCc1c(C(=O)NCCCN(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C ZINC001687738010 1293006602 /nfs/dbraw/zinc/00/66/02/1293006602.db2.gz SEJLFDLJTIFQPC-BXUZGUMPSA-N 0 0 351.407 0.616 10 5 FCBERN C[C@H](CNC(=O)NC[C@@H](O)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC001687732012 1293006977 /nfs/dbraw/zinc/00/69/77/1293006977.db2.gz ATDHUCIAVCWQOI-GHMZBOCLSA-N 0 0 359.404 0.403 10 5 FCBERN CCc1c(C(=O)N(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cnn1C ZINC001687825203 1293016939 /nfs/dbraw/zinc/01/69/39/1293016939.db2.gz VSXOANZCILSAIU-IUODEOHRSA-N 0 0 363.418 0.759 10 5 FCBERN COc1ccnc(C(=O)NCCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 ZINC001687843284 1293019972 /nfs/dbraw/zinc/01/99/72/1293019972.db2.gz KAYMTCUIOWLAHG-UKRRQHHQSA-N 0 0 362.386 0.866 10 5 FCBERN Cc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001687876666 1293021666 /nfs/dbraw/zinc/02/16/66/1293021666.db2.gz UFOVZJFRTIYWHH-CHWSQXEVSA-N 0 0 366.443 0.596 10 5 FCBERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001117305212 846948699 /nfs/dbraw/zinc/94/86/99/846948699.db2.gz PXTMYQKLFDWMML-FZMZJTMJSA-N 0 0 351.359 0.774 10 5 FCBERN O=[N+]([O-])CCCc1nnc(N2C[C@H]3CC[C@@H](C2)O3)n1C[C@@H]1CCOC1 ZINC001123128095 848571764 /nfs/dbraw/zinc/57/17/64/848571764.db2.gz YGPXJXYIIGHLRJ-MELADBBJSA-N 0 0 351.407 0.892 10 5 FCBERN C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCS1(=O)=O 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/nfs/dbraw/zinc/36/94/17/1288369417.db2.gz FSFDBMMVICMSOV-ZYHUDNBSSA-N 0 0 364.358 0.048 10 5 FCBERN O=C(CN1CCCCCCC1=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001721855537 1288385902 /nfs/dbraw/zinc/38/59/02/1288385902.db2.gz SVLQXMVWJXAXDH-UUSXEQNQSA-N 0 0 366.418 0.233 10 5 FCBERN Cc1ccc2n[nH]c(C(=O)NCC=CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2c1 ZINC001721851982 1288386188 /nfs/dbraw/zinc/38/61/88/1288386188.db2.gz KISIZSYYCSWRGY-SDEBIZQBSA-N 0 0 357.370 0.939 10 5 FCBERN Cc1cncc(C)c1C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001726038918 1288488761 /nfs/dbraw/zinc/48/87/61/1288488761.db2.gz RPQMVORUSXMWRB-CHWSQXEVSA-N 0 0 362.386 0.057 10 5 FCBERN O=C(NCCCOC1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001726050024 1288492476 /nfs/dbraw/zinc/49/24/76/1288492476.db2.gz QUQKZEISFPMJTF-HUUCEWRRSA-N 0 0 353.419 0.966 10 5 FCBERN Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cnn1 ZINC001726060473 1288493122 /nfs/dbraw/zinc/49/31/22/1288493122.db2.gz QBPCHWAGWFVPHA-ZIAGYGMSSA-N 0 0 361.402 0.999 10 5 FCBERN Cc1ccc(C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 ZINC001734827385 1288685716 /nfs/dbraw/zinc/68/57/16/1288685716.db2.gz KBIDVEWUSOIZQI-HUUCEWRRSA-N 0 0 361.398 0.662 10 5 FCBERN Cc1cc(C)c(C(=O)N(C)CCOCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001735114752 1288700597 /nfs/dbraw/zinc/70/05/97/1288700597.db2.gz FZJQYRUEISEVAD-CHWSQXEVSA-N 0 0 353.375 0.766 10 5 FCBERN Cc1cc(=O)c(C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c[nH]1 ZINC001735642081 1288762899 /nfs/dbraw/zinc/76/28/99/1288762899.db2.gz FMWXCRDYDGNEHL-DGCLKSJQSA-N 0 0 362.386 0.365 10 5 FCBERN CCN(CCCNC(=O)c1cnc2ccccn12)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737270190 1289524336 /nfs/dbraw/zinc/52/43/36/1289524336.db2.gz SUFSHMDGOIZUFI-CHWSQXEVSA-N 0 0 359.386 0.968 10 5 FCBERN Cc1cccc(C(=O)NCCN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001737334202 1289532220 /nfs/dbraw/zinc/53/22/20/1289532220.db2.gz QREULGQNSRVBIF-HZPDHXFCSA-N 0 0 360.414 0.534 10 5 FCBERN O=C(NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc(Cl)c[nH]1 ZINC001737334426 1289532335 /nfs/dbraw/zinc/53/23/35/1289532335.db2.gz ABFDDRLMIHKRCE-DGCLKSJQSA-N 0 0 369.809 0.207 10 5 FCBERN O=C(NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(F)s1 ZINC001737338516 1289534423 /nfs/dbraw/zinc/53/44/23/1289534423.db2.gz QVFVXHPWXZFQPL-GHMZBOCLSA-N 0 0 370.406 0.426 10 5 FCBERN COc1cc(OC)cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001737776468 1289585046 /nfs/dbraw/zinc/58/50/46/1289585046.db2.gz UTEMEYQAELQWTQ-ZIAGYGMSSA-N 0 0 351.359 0.557 10 5 FCBERN CCn1nnc(C)c1CN(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001700971421 1289624202 /nfs/dbraw/zinc/62/42/02/1289624202.db2.gz YYWGIJTZWFOWKI-ZIAGYGMSSA-N 0 0 352.439 0.940 10 5 FCBERN Cc1cc(C)n(CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001701156750 1289634262 /nfs/dbraw/zinc/63/42/62/1289634262.db2.gz GNHAPBRUIQOALP-ZIAGYGMSSA-N 0 0 365.434 0.766 10 5 FCBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001611309694 1289640823 /nfs/dbraw/zinc/64/08/23/1289640823.db2.gz RQYPBNJBXPMANC-NSHDSACASA-N 0 0 366.349 0.849 10 5 FCBERN CCc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(=O)[nH]1 ZINC001738359584 1289666892 /nfs/dbraw/zinc/66/68/92/1289666892.db2.gz HAPJJVAOJWSFRF-CHWSQXEVSA-N 0 0 350.375 0.545 10 5 FCBERN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001612570060 1289688069 /nfs/dbraw/zinc/68/80/69/1289688069.db2.gz GLMGJXVLPCHMOH-GXSJLCMTSA-N 0 0 355.372 0.933 10 5 FCBERN CNS(=O)(=O)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001612709380 1289699852 /nfs/dbraw/zinc/69/98/52/1289699852.db2.gz TUAHPCJJYPPUDT-UHFFFAOYSA-N 0 0 351.406 0.350 10 5 FCBERN CN1CCOC[C@@]1(CO)CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001612920167 1289702756 /nfs/dbraw/zinc/70/27/56/1289702756.db2.gz OWOKWGTTWPPPFA-KRWDZBQOSA-N 0 0 362.386 0.552 10 5 FCBERN Cn1c(=O)c([N+](=O)[O-])c(NC[C@H](O)CS(C)(=O)=O)c2ccccc21 ZINC001613008756 1289707900 /nfs/dbraw/zinc/70/79/00/1289707900.db2.gz GTKOEWNCOBRCEW-VIFPVBQESA-N 0 0 355.372 0.264 10 5 FCBERN COC(=O)[C@@H](NC(=O)CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC001613322217 1289713575 /nfs/dbraw/zinc/71/35/75/1289713575.db2.gz YMYXKRGTFGUANW-AWEZNQCLSA-N 0 0 372.399 0.991 10 5 FCBERN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cccc(S(C)(=O)=O)c2)c1 ZINC001613479615 1289716370 /nfs/dbraw/zinc/71/63/70/1289716370.db2.gz RUHQNBKLGFKFTB-UHFFFAOYSA-N 0 0 366.351 0.995 10 5 FCBERN Cc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001613485745 1289717076 /nfs/dbraw/zinc/71/70/76/1289717076.db2.gz SDPNRJIEEOJVPK-UHFFFAOYSA-N 0 0 371.415 0.822 10 5 FCBERN O=C(Cc1cnn2ccccc12)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001738774083 1289726802 /nfs/dbraw/zinc/72/68/02/1289726802.db2.gz IRGHMXQGDDMSIZ-TZMCWYRMSA-N 0 0 357.370 0.307 10 5 FCBERN CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC001616316202 1289773782 /nfs/dbraw/zinc/77/37/82/1289773782.db2.gz FKWKRVXMLZHDDR-NSHDSACASA-N 0 0 372.399 0.612 10 5 FCBERN C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@@H](CO)O1 ZINC001616423152 1289779214 /nfs/dbraw/zinc/77/92/14/1289779214.db2.gz DYCJCYRQMVQFQN-MNOVXSKESA-N 0 0 352.343 0.978 10 5 FCBERN COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001616589916 1289784353 /nfs/dbraw/zinc/78/43/53/1289784353.db2.gz UYBLDJCFUCCXOW-GFCCVEGCSA-N 0 0 369.761 0.633 10 5 FCBERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001616589214 1289784848 /nfs/dbraw/zinc/78/48/48/1289784848.db2.gz KMHUTJKXNCEZCX-UHFFFAOYSA-N 0 0 374.332 0.756 10 5 FCBERN CC(C)N(CCN(C)C(=O)CCc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001739080895 1289796913 /nfs/dbraw/zinc/79/69/13/1289796913.db2.gz AAEWKKJERZFBAM-HUUCEWRRSA-N 0 0 365.434 0.713 10 5 FCBERN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1cccc(N2CCOCC2)n1 ZINC001617234226 1289825367 /nfs/dbraw/zinc/82/53/67/1289825367.db2.gz VTYXAIKBLGMFLR-UHFFFAOYSA-N 0 0 373.369 0.305 10 5 FCBERN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC001617262104 1289827555 /nfs/dbraw/zinc/82/75/55/1289827555.db2.gz DWMHTZSTZFSVAW-PWSUYJOCSA-N 0 0 357.388 0.102 10 5 FCBERN O=C(NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cccc(=O)[nH]1 ZINC001739285005 1289835819 /nfs/dbraw/zinc/83/58/19/1289835819.db2.gz RTAPKKSNDGULFT-TZMCWYRMSA-N 0 0 360.370 0.731 10 5 FCBERN CC1(C)SC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001617404986 1289837553 /nfs/dbraw/zinc/83/75/53/1289837553.db2.gz ODLDHKPCAWFHTL-LLVKDONJSA-N 0 0 359.429 0.883 10 5 FCBERN O=C(NCCN(CCc1ccccc1)C(=O)c1ncc[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001739299766 1289841041 /nfs/dbraw/zinc/84/10/41/1289841041.db2.gz NDDKQMJCTDAILO-HUUCEWRRSA-N 0 0 371.397 0.876 10 5 FCBERN COC(=O)[C@H]1CCN1C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001617664845 1289855407 /nfs/dbraw/zinc/85/54/07/1289855407.db2.gz AYRVKNGYDJSPHY-LLVKDONJSA-N 0 0 369.280 0.807 10 5 FCBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)c1F ZINC001617940984 1289872326 /nfs/dbraw/zinc/87/23/26/1289872326.db2.gz CDERXRWCAKUFFA-NSHDSACASA-N 0 0 360.363 0.928 10 5 FCBERN O=C(C1=C2CCCN=C2NN1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001618697049 1289931580 /nfs/dbraw/zinc/93/15/80/1289931580.db2.gz IHRAVXWUHUNLRQ-UHFFFAOYSA-N 0 0 356.386 0.798 10 5 FCBERN NC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001620418840 1289989263 /nfs/dbraw/zinc/98/92/63/1289989263.db2.gz GBELERPMKRHZPV-DTORHVGOSA-N 0 0 361.185 0.920 10 5 FCBERN CCOC(=O)[C@@H](Cc1ccccc1)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620478709 1289992455 /nfs/dbraw/zinc/99/24/55/1289992455.db2.gz UTBIOQFFRFFISC-JKSUJKDBSA-N 0 0 362.386 0.916 10 5 FCBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1CS(N)(=O)=O ZINC001620502080 1289994591 /nfs/dbraw/zinc/99/45/91/1289994591.db2.gz VEUYXRBYGAFRSQ-ZDUSSCGKSA-N 0 0 370.431 0.985 10 5 FCBERN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCn3cnc(C(F)(F)F)c3C2)c1 ZINC001620544584 1289997146 /nfs/dbraw/zinc/99/71/46/1289997146.db2.gz YWMWYIQEXKQLMZ-JTQLQIEISA-N 0 0 360.296 0.883 10 5 FCBERN O=C(CCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001620656372 1290012788 /nfs/dbraw/zinc/01/27/88/1290012788.db2.gz LOIKZGLHPJLUEZ-LBPRGKRZSA-N 0 0 360.326 0.320 10 5 FCBERN Cc1c(NC(=O)CCN2CCS(=O)(=O)CCO2)cccc1[N+](=O)[O-] ZINC001620679030 1290016658 /nfs/dbraw/zinc/01/66/58/1290016658.db2.gz QMMHRIPKKAXPCY-UHFFFAOYSA-N 0 0 357.388 0.894 10 5 FCBERN CS(=O)(=O)CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001622080268 1290090019 /nfs/dbraw/zinc/09/00/19/1290090019.db2.gz MUUJZDUZTFWLBY-UHFFFAOYSA-N 0 0 354.384 0.541 10 5 FCBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCNC(=O)NC1CCCCC1 ZINC001622924166 1290190986 /nfs/dbraw/zinc/19/09/86/1290190986.db2.gz RIZBYGGTMLWGJF-UHFFFAOYSA-N 0 0 352.395 0.848 10 5 FCBERN O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(CCCO)C1CC1 ZINC001623070377 1290196350 /nfs/dbraw/zinc/19/63/50/1290196350.db2.gz 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10 5 FCBERN Cn1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(=O)n(C)c1=O ZINC000158228874 488776391 /nfs/dbraw/zinc/77/63/91/488776391.db2.gz OTNILWNJOUTKAN-UHFFFAOYSA-N 0 0 370.325 0.430 10 5 FCBERN COC(=O)Cn1cc(CCn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)nn1 ZINC000159730734 488786747 /nfs/dbraw/zinc/78/67/47/488786747.db2.gz VMLVNFXTDCTBNR-UHFFFAOYSA-N 0 0 357.330 0.861 10 5 FCBERN Cc1cc(N2CCC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)n(C)n1 ZINC000278170009 488804705 /nfs/dbraw/zinc/80/47/05/488804705.db2.gz COCQBKBYEGHTEK-CYBMUJFWSA-N 0 0 374.401 0.584 10 5 FCBERN COC(=O)[C@]1(F)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000267759214 488818012 /nfs/dbraw/zinc/81/80/12/488818012.db2.gz NKULOTZKJNOGHJ-ZDUSSCGKSA-N 0 0 362.335 0.879 10 5 FCBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742990 488837108 /nfs/dbraw/zinc/83/71/08/488837108.db2.gz BUTUHQNKPPVCOQ-CYBMUJFWSA-N 0 0 372.381 0.983 10 5 FCBERN COC(=O)[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOC1 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/nfs/dbraw/zinc/31/79/24/489317924.db2.gz ZYGDTIYKYOXPDY-ZIAGYGMSSA-N 0 0 355.416 0.997 10 5 FCBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000285280808 489318330 /nfs/dbraw/zinc/31/83/30/489318330.db2.gz ZYGDTIYKYOXPDY-UONOGXRCSA-N 0 0 355.416 0.997 10 5 FCBERN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000370438850 489360911 /nfs/dbraw/zinc/36/09/11/489360911.db2.gz QGEAWNNHFIWSJA-WCQYABFASA-N 0 0 369.378 0.543 10 5 FCBERN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000286346130 489381789 /nfs/dbraw/zinc/38/17/89/489381789.db2.gz OVBHWUSWVHTTGQ-NSHDSACASA-N 0 0 356.404 0.673 10 5 FCBERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000286612397 489410192 /nfs/dbraw/zinc/41/01/92/489410192.db2.gz YCJGVRYRPNCMJN-OAHLLOKOSA-N 0 0 369.399 0.396 10 5 FCBERN COC(=O)c1cnc(N2CCN(CC(F)(F)F)C(=O)C2)c([N+](=O)[O-])c1 ZINC000286701492 489419177 /nfs/dbraw/zinc/41/91/77/489419177.db2.gz ZQJPHUPIVZMLIE-UHFFFAOYSA-N 0 0 362.264 0.987 10 5 FCBERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299420423 489439842 /nfs/dbraw/zinc/43/98/42/489439842.db2.gz WVSZRHZPADYLKE-AWEZNQCLSA-N 0 0 364.402 0.757 10 5 FCBERN CN1C[C@H](NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1=O ZINC000286997472 489450442 /nfs/dbraw/zinc/45/04/42/489450442.db2.gz LYZXPDFBWJPOAD-CYBMUJFWSA-N 0 0 374.397 0.823 10 5 FCBERN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000287212726 489470428 /nfs/dbraw/zinc/47/04/28/489470428.db2.gz IJMMKFOAGICJJS-UWVGGRQHSA-N 0 0 359.408 0.166 10 5 FCBERN COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000371365767 489481076 /nfs/dbraw/zinc/48/10/76/489481076.db2.gz GGQIFDNXDUKFHP-ZDUSSCGKSA-N 0 0 365.342 0.181 10 5 FCBERN CNS(=O)(=O)NCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000451459534 489505349 /nfs/dbraw/zinc/50/53/49/489505349.db2.gz HFUFJECYRITNAH-UHFFFAOYSA-N 0 0 370.309 0.284 10 5 FCBERN 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/nfs/dbraw/zinc/58/88/68/489588868.db2.gz HHEUXXFSTQVFSG-DYLAAIIWSA-N 0 0 356.356 0.980 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000416403177 489589450 /nfs/dbraw/zinc/58/94/50/489589450.db2.gz MYPLAHVZNIVOJD-SNVBAGLBSA-N 0 0 358.372 0.774 10 5 FCBERN CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CCO1 ZINC000416403162 489589692 /nfs/dbraw/zinc/58/96/92/489589692.db2.gz YWKQEVPIXLSPPC-CYBMUJFWSA-N 0 0 371.415 0.737 10 5 FCBERN CC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)C[C@H]1O ZINC000416444754 489593482 /nfs/dbraw/zinc/59/34/82/489593482.db2.gz ZKCSPHJAORNWMZ-TVQRCGJNSA-N 0 0 358.372 0.773 10 5 FCBERN Cc1cc(S(=O)(=O)NCC(=O)N2CCOCC2)c(C)cc1[N+](=O)[O-] ZINC000416452049 489594360 /nfs/dbraw/zinc/59/43/60/489594360.db2.gz CIGWDGCTMDGEKG-UHFFFAOYSA-N 0 0 357.388 0.349 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000416460310 489595372 /nfs/dbraw/zinc/59/53/72/489595372.db2.gz VCURGYSUMWZHQN-VHSXEESVSA-N 0 0 358.372 0.773 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N(CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000416470340 489597232 /nfs/dbraw/zinc/59/72/32/489597232.db2.gz GSYWACRGSIDXRM-UHFFFAOYSA-N 0 0 358.372 0.917 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000416471780 489597352 /nfs/dbraw/zinc/59/73/52/489597352.db2.gz RANBMMXBNJCPAK-ZETCQYMHSA-N 0 0 368.314 0.676 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000416478267 489598948 /nfs/dbraw/zinc/59/89/48/489598948.db2.gz ZVOUUJZPOSURSP-GFCCVEGCSA-N 0 0 358.372 0.773 10 5 FCBERN CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000416496839 489601844 /nfs/dbraw/zinc/60/18/44/489601844.db2.gz QYGWYXSSTJUWNC-UHFFFAOYSA-N 0 0 371.463 0.783 10 5 FCBERN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000427351419 489603654 /nfs/dbraw/zinc/60/36/54/489603654.db2.gz DGSZNTIEUCOEQO-MRVPVSSYSA-N 0 0 363.296 0.952 10 5 FCBERN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@](O)(C(F)F)C1 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FCBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CCO)CC1 ZINC000590569617 491779719 /nfs/dbraw/zinc/77/97/19/491779719.db2.gz LJVRIHZHKSDHPA-UHFFFAOYSA-N 0 0 372.447 0.397 10 5 FCBERN CNC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CCO1 ZINC000590582041 491779760 /nfs/dbraw/zinc/77/97/60/491779760.db2.gz QPRMQCGMQQFRMY-JTQLQIEISA-N 0 0 357.750 0.986 10 5 FCBERN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@]1(O)CCOC1 ZINC000590583445 491779819 /nfs/dbraw/zinc/77/98/19/491779819.db2.gz XODZYXNIEOFVGP-CQSZACIVSA-N 0 0 359.404 0.846 10 5 FCBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(CN2CCOCC2)C1 ZINC000590587411 491780059 /nfs/dbraw/zinc/78/00/59/491780059.db2.gz DXGYZGWCGIFVQQ-UHFFFAOYSA-N 0 0 355.416 0.856 10 5 FCBERN COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000591325720 491802689 /nfs/dbraw/zinc/80/26/89/491802689.db2.gz PXFCGGOWAYEGKZ-VIFPVBQESA-N 0 0 371.371 0.281 10 5 FCBERN CC[C@](C)(CO)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000583702469 491850396 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0.555 10 5 FCBERN NS(=O)(=O)NC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000600561980 491868721 /nfs/dbraw/zinc/86/87/21/491868721.db2.gz BCZSLNQRISUWLU-UHFFFAOYSA-N 0 0 360.367 0.061 10 5 FCBERN COC(=O)CCN1CCC[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000594895137 491871276 /nfs/dbraw/zinc/87/12/76/491871276.db2.gz DKOJOPGSXIAJES-ZDUSSCGKSA-N 0 0 370.383 0.923 10 5 FCBERN NC(=O)C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000600679350 491874913 /nfs/dbraw/zinc/87/49/13/491874913.db2.gz IHDXPXHHNCJAJQ-LLVKDONJSA-N 0 0 374.353 0.625 10 5 FCBERN COc1cc(C(=O)N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000600677478 491875069 /nfs/dbraw/zinc/87/50/69/491875069.db2.gz DUQUPCILEINCBK-SECBINFHSA-N 0 0 353.331 0.328 10 5 FCBERN NC(=O)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCO1 ZINC000600679870 491875243 /nfs/dbraw/zinc/87/52/43/491875243.db2.gz PNNATNWOYNDCJC-NSHDSACASA-N 0 0 369.399 0.396 10 5 FCBERN CCOc1cc(C(=O)N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000600682986 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O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC2(C1)C[C@H](O)CNC2=O ZINC001651761729 1291238318 /nfs/dbraw/zinc/23/83/18/1291238318.db2.gz NGAGGXNKJZWITL-VIFPVBQESA-N 0 0 373.287 0.937 10 5 FCBERN COc1cc([N+](=O)[O-])cn(CC(=O)CCNC(=O)C(F)(F)F)c1=O ZINC001652136577 1291262781 /nfs/dbraw/zinc/26/27/81/1291262781.db2.gz ODOVKSRYCNESCY-UHFFFAOYSA-N 0 0 351.237 0.403 10 5 FCBERN O=[N+]([O-])c1cnc(N2CCN3[C@@H](CNS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC001652261552 1291269649 /nfs/dbraw/zinc/26/96/49/1291269649.db2.gz NLJATLDFSCIORM-QMMMGPOBSA-N 0 0 367.309 0.347 10 5 FCBERN O=[N+]([O-])c1ncccc1CN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001652617563 1291287459 /nfs/dbraw/zinc/28/74/59/1291287459.db2.gz RAUJRFWGYPREPN-UHFFFAOYSA-N 0 0 367.387 0.625 10 5 FCBERN Cc1c(C(=O)N2CC(N3CCCC3=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001652694794 1291292614 /nfs/dbraw/zinc/29/26/14/1291292614.db2.gz NEONDBGCRNRYIK-UHFFFAOYSA-N 0 0 370.369 0.931 10 5 FCBERN COC(=O)[C@@H](Cn1cncn1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001652815395 1291302815 /nfs/dbraw/zinc/30/28/15/1291302815.db2.gz LNDDBLJMCHAIIB-GFCCVEGCSA-N 0 0 365.321 0.616 10 5 FCBERN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001653512996 1291350115 /nfs/dbraw/zinc/35/01/15/1291350115.db2.gz BSOIMEFIPFONTO-CMPLNLGQSA-N 0 0 356.306 0.726 10 5 FCBERN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC001653539372 1291352213 /nfs/dbraw/zinc/35/22/13/1291352213.db2.gz CEEXWDXQPRWINV-ZDUSSCGKSA-N 0 0 358.358 0.608 10 5 FCBERN CNc1ccc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC001653676612 1291362416 /nfs/dbraw/zinc/36/24/16/1291362416.db2.gz UPZAJUGDMDKVNO-PHIMTYICSA-N 0 0 365.342 0.671 10 5 FCBERN CNc1nccc(C(=O)NC[C@H](C(=O)OC)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001653865963 1291375123 /nfs/dbraw/zinc/37/51/23/1291375123.db2.gz QXMDEXCARYROME-ONGXEEELSA-N 0 0 352.347 0.587 10 5 FCBERN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCC2)S(=O)(=O)CC1 ZINC001653910121 1291380235 /nfs/dbraw/zinc/38/02/35/1291380235.db2.gz VQEGFGZJXVOFIY-UHFFFAOYSA-N 0 0 355.416 0.800 10 5 FCBERN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCNC1=S ZINC001654093021 1291394096 /nfs/dbraw/zinc/39/40/96/1291394096.db2.gz UMQWHMGVJVYBPS-SNVBAGLBSA-N 0 0 369.451 0.134 10 5 FCBERN CN(Cc1nnc2n1CCN(C)C2=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001654765908 1291434526 /nfs/dbraw/zinc/43/45/26/1291434526.db2.gz SAEZOJIXLXOELG-ZDUSSCGKSA-N 0 0 360.374 0.437 10 5 FCBERN O=C1NCC2(CCOCC2)[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001654909596 1291443632 /nfs/dbraw/zinc/44/36/32/1291443632.db2.gz PXJZZPWJPBBIDQ-GJZGRUSLSA-N 0 0 374.397 0.585 10 5 FCBERN CN(C(=O)CN1CCO[C@@H](Cn2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001655124358 1291456879 /nfs/dbraw/zinc/45/68/79/1291456879.db2.gz ITKORXKRVVTNTQ-OAHLLOKOSA-N 0 0 360.374 0.550 10 5 FCBERN CCOc1ccc(NC(=O)CN2CCN(C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001655118780 1291456902 /nfs/dbraw/zinc/45/69/02/1291456902.db2.gz PWEFSGFBMIVVQU-GFCCVEGCSA-N 0 0 352.391 0.540 10 5 FCBERN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001655527697 1291472156 /nfs/dbraw/zinc/47/21/56/1291472156.db2.gz OYJMKRLEWQKAPT-NSHDSACASA-N 0 0 371.415 0.753 10 5 FCBERN CN(Cc1nnc2n1CCN(C)C2=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001655565699 1291474124 /nfs/dbraw/zinc/47/41/24/1291474124.db2.gz WYTCOBNWLKTVBU-ZDUSSCGKSA-N 0 0 360.374 0.437 10 5 FCBERN Cn1cc(CNC2(C(=O)N3CCOCC3)CCCCC2)c([N+](=O)[O-])n1 ZINC001656492883 1291533844 /nfs/dbraw/zinc/53/38/44/1291533844.db2.gz FHSHUMDLZIFEHV-UHFFFAOYSA-N 0 0 351.407 0.980 10 5 FCBERN CO[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC001659750946 1291643715 /nfs/dbraw/zinc/64/37/15/1291643715.db2.gz PSCWZIZUFLFJHZ-HIFRSBDPSA-N 0 0 358.416 0.840 10 5 FCBERN O=C(CN1CCC(Cc2nn[nH]n2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001660005413 1291650242 /nfs/dbraw/zinc/65/02/42/1291650242.db2.gz COAVPBNCHJMXFH-UHFFFAOYSA-N 0 0 371.401 0.952 10 5 FCBERN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001660391607 1291657333 /nfs/dbraw/zinc/65/73/33/1291657333.db2.gz FGRSPEARADEXQJ-FZMZJTMJSA-N 0 0 371.415 0.667 10 5 FCBERN CN(CCN1CCN(Cc2nccs2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001664767241 1291812088 /nfs/dbraw/zinc/81/20/88/1291812088.db2.gz YIWMWCPWLKTMDE-CHWSQXEVSA-N 0 0 353.448 0.384 10 5 FCBERN O=C(NC/C=C/CNCc1nnc(C(F)(F)F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668820601 1291976013 /nfs/dbraw/zinc/97/60/13/1291976013.db2.gz GZJLPSQXYWFIIL-XLNBVVSQSA-N 0 0 365.337 0.984 10 5 FCBERN NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC001673568590 1292115630 /nfs/dbraw/zinc/11/56/30/1292115630.db2.gz YXKUWMJLICMCLS-NWDGAFQWSA-N 0 0 362.390 0.475 10 5 FCBERN O=C(NC[C@H]1COCO1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001675464433 1292177351 /nfs/dbraw/zinc/17/73/51/1292177351.db2.gz CNYLIZCCCSYYQC-LBPRGKRZSA-N 0 0 364.358 0.435 10 5 FCBERN Cc1cnn(C)c1C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001678040215 1292250770 /nfs/dbraw/zinc/25/07/70/1292250770.db2.gz BIGTWVJIGKKEJZ-VXGBXAGGSA-N 0 0 351.407 0.608 10 5 FCBERN CNC(=O)CCCCC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001679543481 1292307387 /nfs/dbraw/zinc/30/73/87/1292307387.db2.gz XAVKYODWQQWOIU-ZIAGYGMSSA-N 0 0 368.434 0.407 10 5 FCBERN Cc1ccc(CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC001684707019 1292315866 /nfs/dbraw/zinc/31/58/66/1292315866.db2.gz YWTHCAZQYGQNOP-CYBMUJFWSA-N 0 0 371.415 0.858 10 5 FCBERN Cn1ccn2c(CNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)nnc2c1=O ZINC001684850609 1292343669 /nfs/dbraw/zinc/34/36/69/1292343669.db2.gz QOWUUWXVPWOQKP-UHFFFAOYSA-N 0 0 369.341 0.562 10 5 FCBERN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001685762719 1292624885 /nfs/dbraw/zinc/62/48/85/1292624885.db2.gz WVXLWPURKQYTFP-UHFFFAOYSA-N 0 0 361.358 0.778 10 5 FCBERN COc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(OC)c1C ZINC001687003422 1292973631 /nfs/dbraw/zinc/97/36/31/1292973631.db2.gz BJMPCJBXXRYWKS-CHWSQXEVSA-N 0 0 365.386 0.914 10 5 FCBERN Cc1ccc(CNC(=O)NC[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC001687334818 1292984726 /nfs/dbraw/zinc/98/47/26/1292984726.db2.gz IYTANNMZSCITGI-MRXNPFEDSA-N 0 0 352.391 0.396 10 5 FCBERN CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN1CCCCC1=O ZINC001687711423 1293002935 /nfs/dbraw/zinc/00/29/35/1293002935.db2.gz MMJYRIATNZSNJG-CHWSQXEVSA-N 0 0 354.407 0.019 10 5 FCBERN CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1OC ZINC001687711629 1293004034 /nfs/dbraw/zinc/00/40/34/1293004034.db2.gz UTSDKEXJHZNVOM-ZYHUDNBSSA-N 0 0 353.379 0.062 10 5 FCBERN CN(C)C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172983143 836020985 /nfs/dbraw/zinc/02/09/85/836020985.db2.gz MDXYRDBWTNUIGX-UHFFFAOYSA-N 0 0 366.193 0.724 10 5 FCBERN O=[N+]([O-])c1cncc(I)c1NCCOCCCO ZINC000418960544 836072260 /nfs/dbraw/zinc/07/22/60/836072260.db2.gz CYKMSSUYLUQBLB-UHFFFAOYSA-N 0 0 367.143 0.827 10 5 FCBERN CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000747963384 836273698 /nfs/dbraw/zinc/27/36/98/836273698.db2.gz FFXUIKOIWBPZLU-UHFFFAOYSA-N 0 0 354.367 0.654 10 5 FCBERN O=C(CN1C(=O)CSc2ccccc21)OCCn1cnc([N+](=O)[O-])n1 ZINC000749076779 836342452 /nfs/dbraw/zinc/34/24/52/836342452.db2.gz OZIIYARBRARCQY-UHFFFAOYSA-N 0 0 363.355 0.868 10 5 FCBERN C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749669684 836376078 /nfs/dbraw/zinc/37/60/78/836376078.db2.gz JAQOKMWTLIGHLH-QMMMGPOBSA-N 0 0 352.738 0.983 10 5 FCBERN COC(=O)Cn1nc(C)c(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1C ZINC001116442434 846682212 /nfs/dbraw/zinc/68/22/12/846682212.db2.gz WLSBOENYANZWIX-UHFFFAOYSA-N 0 0 350.335 0.245 10 5 FCBERN CC[S@](=O)CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001117339227 846969689 /nfs/dbraw/zinc/96/96/89/846969689.db2.gz HWCGWFKRZMDJBT-VWLOTQADSA-N 0 0 369.399 0.069 10 5 FCBERN Cn1nc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C(F)(F)F ZINC001277054108 861745370 /nfs/dbraw/zinc/74/53/70/861745370.db2.gz BEKUBYHCYSNUAE-NXEZZACHSA-N 0 0 361.324 0.843 10 5 FCBERN Cc1nn(C)c(C(=O)NCC(=O)N(C)OCC(F)(F)F)c1[N+](=O)[O-] ZINC001118776783 847578414 /nfs/dbraw/zinc/57/84/14/847578414.db2.gz LVHUZHDEZIVNNR-UHFFFAOYSA-N 0 0 353.257 0.319 10 5 FCBERN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](Cc3nccn3C)C2)n1 ZINC001118873462 847614126 /nfs/dbraw/zinc/61/41/26/847614126.db2.gz RYPKXPCAZVNYJA-NSHDSACASA-N 0 0 368.419 0.705 10 5 FCBERN COc1ccc(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC001123378067 848588777 /nfs/dbraw/zinc/58/87/77/848588777.db2.gz FCZAHZDHOHCPLK-UHFFFAOYSA-N 0 0 373.391 0.216 10 5 FCBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCn1cc(Br)cn1 ZINC001128844591 848778892 /nfs/dbraw/zinc/77/88/92/848778892.db2.gz DHEKHHZMBYBSCR-UHFFFAOYSA-N 0 0 357.168 0.875 10 5 FCBERN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001129170574 848813752 /nfs/dbraw/zinc/81/37/52/848813752.db2.gz XWMZGTCEAVRAHM-NSHDSACASA-N 0 0 364.383 0.787 10 5 FCBERN CCNC(=O)C(C)(C)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001129510365 848856531 /nfs/dbraw/zinc/85/65/31/848856531.db2.gz BZYCRADXIWFMAI-UHFFFAOYSA-N 0 0 357.388 0.643 10 5 FCBERN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)n1 ZINC001130149414 848953201 /nfs/dbraw/zinc/95/32/01/848953201.db2.gz IRTYHXWRLGWEDJ-CQSZACIVSA-N 0 0 355.372 0.328 10 5 FCBERN CSCC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(N)=O ZINC001131077495 849077463 /nfs/dbraw/zinc/07/74/63/849077463.db2.gz DSLZXDRPSDOYEE-VIFPVBQESA-N 0 0 355.372 0.703 10 5 FCBERN O=C(NC[C@]12COCCN1C(=O)COC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001132583480 849141776 /nfs/dbraw/zinc/14/17/76/849141776.db2.gz NHNKVLJSHMTORQ-OAHLLOKOSA-N 0 0 369.761 0.606 10 5 FCBERN O=C(NCc1nnc2n1CCNC2=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001132957761 849145078 /nfs/dbraw/zinc/14/50/78/849145078.db2.gz DTYNFWQZIRUZMQ-UHFFFAOYSA-N 0 0 352.257 0.138 10 5 FCBERN Cn1cc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)nn1 ZINC001133003479 849146123 /nfs/dbraw/zinc/14/61/23/849146123.db2.gz JOOWFIXWZZHKIL-UHFFFAOYSA-N 0 0 352.257 0.800 10 5 FCBERN 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O=C(NC1(CO)CCN(C/C(Cl)=C\Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505376244 1264269941 /nfs/dbraw/zinc/26/99/41/1264269941.db2.gz IWKGTMIHTJQDEU-WHTZOINASA-N 0 0 352.218 0.914 10 5 FCBERN Cc1cnc2cc(C(=O)NCC3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)ccn12 ZINC001506074597 1264288365 /nfs/dbraw/zinc/28/83/65/1264288365.db2.gz NRHAYRAWWSRBNV-CHWSQXEVSA-N 0 0 357.370 0.687 10 5 FCBERN CCNC(=O)CCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506341904 1264311563 /nfs/dbraw/zinc/31/15/63/1264311563.db2.gz SVVPNHZPHPLAFF-VXGBXAGGSA-N 0 0 354.407 0.065 10 5 FCBERN C[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001323244906 1264376378 /nfs/dbraw/zinc/37/63/78/1264376378.db2.gz HFWIXCZRVMDEMJ-AAEUAGOBSA-N 0 0 365.390 0.496 10 5 FCBERN CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn[nH]c(=O)c1 ZINC001508673038 1264418767 /nfs/dbraw/zinc/41/87/67/1264418767.db2.gz OXASFIUDKRLNQU-GHMZBOCLSA-N 0 0 351.363 0.062 10 5 FCBERN CCC(CC)(CC)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001509162799 1264439674 /nfs/dbraw/zinc/43/96/74/1264439674.db2.gz JNWPFIXJFXVVOW-CHWSQXEVSA-N 0 0 355.435 0.948 10 5 FCBERN Cc1c(C(=O)N(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)nnn1C ZINC001511706749 1264577884 /nfs/dbraw/zinc/57/78/84/1264577884.db2.gz LYRVJCFCKSYZOB-VXGBXAGGSA-N 0 0 352.395 0.098 10 5 FCBERN Cn1cc(Cl)c(C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001512617924 1264634608 /nfs/dbraw/zinc/63/46/08/1264634608.db2.gz IFINQNNZXKULRW-MWLCHTKSSA-N 0 0 369.809 0.755 10 5 FCBERN CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001525953360 1266775499 /nfs/dbraw/zinc/77/54/99/1266775499.db2.gz HPWJDSATBVVTKS-LBPRGKRZSA-N 0 0 358.420 0.853 10 5 FCBERN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001325591986 1264938894 /nfs/dbraw/zinc/93/88/94/1264938894.db2.gz OYGVDRRFUNLYGW-XHDPSFHLSA-N 0 0 363.370 0.088 10 5 FCBERN COc1ccc(CNC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC001325805680 1264998590 /nfs/dbraw/zinc/99/85/90/1264998590.db2.gz TTWAFFFAUJPULH-JTQLQIEISA-N 0 0 373.312 0.448 10 5 FCBERN COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001326660792 1265151219 /nfs/dbraw/zinc/15/12/19/1265151219.db2.gz TZRUAUPHBXUEPI-FPMFFAJLSA-N 0 0 365.386 0.689 10 5 FCBERN COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001326927181 1265200893 /nfs/dbraw/zinc/20/08/93/1265200893.db2.gz RWCADACUYJLFOC-ZDUSSCGKSA-N 0 0 363.370 0.617 10 5 FCBERN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC001327248656 1265265516 /nfs/dbraw/zinc/26/55/16/1265265516.db2.gz VLSVIHJFMPCXRL-KZULUSFZSA-N 0 0 374.397 0.819 10 5 FCBERN CCCS(=O)(=O)NC1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001514785533 1265376593 /nfs/dbraw/zinc/37/65/93/1265376593.db2.gz ALQBEPILQPZBHE-UHFFFAOYSA-N 0 0 373.435 0.420 10 5 FCBERN 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ZINC001524741162 1266725980 /nfs/dbraw/zinc/72/59/80/1266725980.db2.gz ADEIHWZNEAQCQK-UHFFFAOYSA-N 0 0 359.298 0.758 10 5 FCBERN O=C(CCCc1ccccn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001526179577 1266789079 /nfs/dbraw/zinc/78/90/79/1266789079.db2.gz OMKMPAVZEINSBG-GAGVYUBLSA-N 0 0 358.398 0.643 10 5 FCBERN CN(CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC1 ZINC001334050618 1266794091 /nfs/dbraw/zinc/79/40/91/1266794091.db2.gz KRFIMFXIIIKKEW-CHWSQXEVSA-N 0 0 368.434 0.121 10 5 FCBERN COc1ncccc1C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001334100086 1266822735 /nfs/dbraw/zinc/82/27/35/1266822735.db2.gz TWZYIEQMLIEALM-CHWSQXEVSA-N 0 0 364.402 0.970 10 5 FCBERN O=C(Cc1cscn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001526644381 1266826766 /nfs/dbraw/zinc/82/67/66/1266826766.db2.gz UQJYHPORMSHJFG-UHFFFAOYSA-N 0 0 370.412 0.689 10 5 FCBERN Cn1nccc1COCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001527656209 1266911707 /nfs/dbraw/zinc/91/17/07/1266911707.db2.gz PAHXHPJZMNADBP-UHFFFAOYSA-N 0 0 360.374 0.589 10 5 FCBERN CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001528110912 1266943535 /nfs/dbraw/zinc/94/35/35/1266943535.db2.gz NWKAZBLLZZGIKP-UKRRQHHQSA-N 0 0 357.370 0.930 10 5 FCBERN CC(C)Oc1cccc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001528109699 1266944230 /nfs/dbraw/zinc/94/42/30/1266944230.db2.gz BNZFUOJEXQQGEK-DGCLKSJQSA-N 0 0 350.375 0.722 10 5 FCBERN CCN(CCNC(=O)c1cc(C(C)C)n(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001528851991 1267001828 /nfs/dbraw/zinc/00/18/28/1267001828.db2.gz YAWMEAKQQIZLMI-BXUZGUMPSA-N 0 0 351.407 0.787 10 5 FCBERN CCCN(CCNC(=O)Cc1c(C)noc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001529558955 1267064595 /nfs/dbraw/zinc/06/45/95/1267064595.db2.gz SDENOLKDMSSOTR-ZIAGYGMSSA-N 0 0 352.391 0.854 10 5 FCBERN CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc2c([nH]1)CCOC2 ZINC001529546491 1267065954 /nfs/dbraw/zinc/06/59/54/1267065954.db2.gz 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CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001532040143 1267157810 /nfs/dbraw/zinc/15/78/10/1267157810.db2.gz WVBDCTFPVXRZMN-RFQIPJPRSA-N 0 0 354.384 0.627 10 5 FCBERN COCCOCC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001532044112 1267158462 /nfs/dbraw/zinc/15/84/62/1267158462.db2.gz OPDODSVSXAUPPJ-ZIAGYGMSSA-N 0 0 369.418 0.156 10 5 FCBERN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001533397448 1267218878 /nfs/dbraw/zinc/21/88/78/1267218878.db2.gz KUCHDHQRIBNFHI-UHFFFAOYSA-N 0 0 358.358 0.675 10 5 FCBERN O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc2c(c1)NC(=O)C2 ZINC001533490562 1267219522 /nfs/dbraw/zinc/21/95/22/1267219522.db2.gz AKTLCFYPYVCNGQ-ZBHKTDLZSA-N 0 0 358.354 0.249 10 5 FCBERN CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001533683736 1267234625 /nfs/dbraw/zinc/23/46/25/1267234625.db2.gz KBNMAMKGBVNLST-AAEUAGOBSA-N 0 0 372.399 0.874 10 5 FCBERN 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ZINC000832437787 669904254 /nfs/dbraw/zinc/90/42/54/669904254.db2.gz QIKONGQLEJUFOM-ZIAGYGMSSA-N 0 0 371.415 0.559 10 5 FCBERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000841486318 670027471 /nfs/dbraw/zinc/02/74/71/670027471.db2.gz SNRGATUWQLNPEJ-JOCHJYFZSA-N 0 0 364.401 0.428 10 5 FCBERN COC[C@@H](C(N)=O)N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000817931978 670048848 /nfs/dbraw/zinc/04/88/48/670048848.db2.gz USTOIILJVWQERD-QMMMGPOBSA-N 0 0 361.152 0.325 10 5 FCBERN CCO/C=C\C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841006921 670531338 /nfs/dbraw/zinc/53/13/38/670531338.db2.gz PQMJKTFFYFYTCT-GHXNOFRVSA-N 0 0 369.399 0.978 10 5 FCBERN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000844016450 670880985 /nfs/dbraw/zinc/88/09/85/670880985.db2.gz HKKAHXBCLQKMNG-DZGCQCFKSA-N 0 0 370.383 0.044 10 5 FCBERN CCN(OC)C(=O)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000844070991 670892966 /nfs/dbraw/zinc/89/29/66/670892966.db2.gz 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O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N[C@H](CO)CCF ZINC000846564441 671127706 /nfs/dbraw/zinc/12/77/06/671127706.db2.gz NHWRUUPTQZLCIH-QMMMGPOBSA-N 0 0 361.276 0.870 10 5 FCBERN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCOCC1 ZINC000847138251 671173049 /nfs/dbraw/zinc/17/30/49/671173049.db2.gz GAFBTNKTTQRVGB-ZDUSSCGKSA-N 0 0 353.375 0.173 10 5 FCBERN NS(=O)(=O)[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582979 671284476 /nfs/dbraw/zinc/28/44/76/671284476.db2.gz MONSRRMLSGTTMN-SNVBAGLBSA-N 0 0 365.314 0.456 10 5 FCBERN CCN1C[C@@H](COC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])OC1=O ZINC000848764203 671294470 /nfs/dbraw/zinc/29/44/70/671294470.db2.gz KEZIENOBYGWASL-VIFPVBQESA-N 0 0 372.355 0.996 10 5 FCBERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC12COC2 ZINC000849394547 671335385 /nfs/dbraw/zinc/33/53/85/671335385.db2.gz CCWBBMYLMRBHRL-JTQLQIEISA-N 0 0 371.371 0.190 10 5 FCBERN C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1S(C)(=O)=O ZINC000849465954 671350026 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CN(OCC(F)(F)F)C(=O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000857427753 671728077 /nfs/dbraw/zinc/72/80/77/671728077.db2.gz ITRHFFSHKHXFIK-UHFFFAOYSA-N 0 0 353.257 0.250 10 5 FCBERN NC(=O)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCO1 ZINC000858821408 671778496 /nfs/dbraw/zinc/77/84/96/671778496.db2.gz HTRIVHQFAUQBDH-NSHDSACASA-N 0 0 350.331 0.632 10 5 FCBERN CN(C)C(=O)O[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000859174598 671798120 /nfs/dbraw/zinc/79/81/20/671798120.db2.gz GQDOBDSILLAPEG-VIFPVBQESA-N 0 0 361.380 0.180 10 5 FCBERN CN1CCOC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859334532 671815899 /nfs/dbraw/zinc/81/58/99/671815899.db2.gz BDWJVYONJFJTKT-MRVPVSSYSA-N 0 0 367.786 0.996 10 5 FCBERN COCOCCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000859384816 671821685 /nfs/dbraw/zinc/82/16/85/671821685.db2.gz HWOBOCKEZIAMJE-UHFFFAOYSA-N 0 0 362.360 0.670 10 5 FCBERN CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1C[C@@H](C(N)=O)C1 ZINC000862125590 672029267 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